Pentane

Pentane

SCHEMBL3094656

CCCCC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[KH]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
LMNA P02545 3/20 0.58
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A1 O15245 3/20 0.33
SLC22A2 O15244 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNM1 Q05193 4/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Pentane SCHEMBL2525553 0.96 TSHR (0.64) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL1825700 0.92 TSHR (0.58) TSHRLMNATHRBALDH1A1TDP1
Octane SCHEMBL19915290 0.88 TSHR (0.61) TSHRLMNATHRBALDH1A1SLC22A1
Hexane SCHEMBL29124909 0.87 TSHR (0.58) TSHRLMNATHRBALDH1A1SLC22A1
Hexane SCHEMBL27826796 0.87 TSHR (0.58) TSHRLMNATHRBALDH1A1SLC22A1
Octane SCHEMBL27625 0.83 TSHR (0.67) TSHRLMNATHRBALDH1A1SLC22A1
Octane SCHEMBL27624 0.83 TSHR (0.67) TSHRLMNATHRBALDH1A1SLC22A1
Undecane SCHEMBL28453375 0.83 TSHR (0.67) TSHRLMNATHRBALDH1A1SLC22A1
Heptane SCHEMBL28681950 0.83 TSHR (0.67) TSHRLMNATHRBALDH1A1SLC22A1
Heptane SCHEMBL28458543 0.83 TSHR (0.67) TSHRLMNATHRBALDH1A1SLC22A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366778-A1 ANTIBODY CONJUGATES AND MANUFACTURE THEREOF Bright Peak Therapeutics AG (CH) 2024-05-15 EP claimed
CN-117615793-A Antibody conjugates and their preparation 明峰治疗股份公司 2024-02-27 CN claimed
CN-117337196-A Pegylated antibody hydroxyl-containing drug conjugates 深圳康源久远生物技术有限公司 2024-01-02 CN claimed
WO-2023281481-A1 ANTIBODY CONJUGATES AND MANUFACTURE THEREOF BRIGHT PEAK THERAPEUTICS (CH) 2023-01-12 WO claimed
CN-113150018-A Four-coordination N, N-chelating monoaryl monofluoroborate compound and preparation method thereof 石河子大学 2021-07-23 CN claimed
CN-112592260-A Method for synthesizing cannabidiol 云南苏理生物医药科技有限公司 2021-04-02 CN claimed
CN-108203440-B Solvent-free double-screw extrusion continuous synthesis process of potassium aryl trifluoroborate 华东师范大学 2020-08-25 CN claimed
CN-108218717-B Method for preparing asymmetric terphenyl compound by using bromoarylsulfonyl fluoride 遵义医科大学 2020-01-07 CN claimed
CN-117945858-A Synthesis method of cannabidiol, intermediate and preparation method thereof 南京派康医疗科技有限公司 2024-04-30 CN disclosed
US-20240132563-A1 BIFUNCTIONAL CYTOKINE COMPOSITIONS BRIGHT PEAK THERAPEUTICS AG (CH) 2024-04-25 US disclosed
US-20240116997-A1 ACTIVATABLE IL-18 POLYPEPTIDES BRIGHT PEAK THERAPEUTICS AG (CH) 2024-04-11 US disclosed
CN-117616036-A Modified IL-2 polypeptides for the treatment of inflammatory and autoimmune diseases 明峰治疗股份公司 2024-02-27 CN disclosed
CN-117337196-A Pegylated antibody hydroxyl-containing drug conjugates 深圳康源久远生物技术有限公司 2024-01-02 CN disclosed
US-20230372525-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH AMINO ACID-BASED LINKERS ARARIS BIOTECH AG (CH) 2023-11-23 US disclosed
US-7501510-B2 Thiourea compositions and uses thereof THE UNIVERSITY OF HONG KONG (CN) 2009-03-10 US disclosed
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO disclosed
EP-1730117-A4 THIOUREA COMPOSITIONS AND USES THEREOF UNIV HONG KONG (CN) 2008-07-02 EP disclosed
EP-1730117-A2 THIOUREA COMPOSITIONS AND USES THEREOF The University of Hong Kong (CN) 2006-12-13 EP disclosed
WO-2005091697-A2 THIOUREA COMPOSITIONS AND USES THEREOF THE UNIVERSITY OF HONG KONG (CN) 2005-10-06 WO disclosed
US-20050215783-A1 Thiourea compositions and uses thereof UNIVERSITY OF HONG KONG, THE (HK) 2005-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240116997-A1 ACTIVATABLE IL-18 POLYPEPTIDES IL18, IL36G, CXCL8 TSHR 1473/4885LMNA 3432/4885THRB 2636/4885
US-20230372525-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH AMINO ACID-BASED LINKERS SP1, GLUL, TGM2 TSHR 981/4885LMNA 2550/4885THRB 1164/4885
US-20050215783-A1 Thiourea compositions and uses thereof DDT, ITK, DTYMK TSHR 367/4885LMNA 4874/4885THRB 408/4885
US-20240132563-A1 BIFUNCTIONAL CYTOKINE COMPOSITIONS IL2, IL17A, IL2RA TSHR 3599/4885LMNA 4679/4885THRB 3698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.