Heptane

Heptane

SCHEMBL28337697

C=CCN.CCCCCCC

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 8/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 1/20 0.53
THRB P10828 1/20 0.50
FAAH O00519 1/20 0.40

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
Octane SCHEMBL28417877 1.00 TSHR (0.60) TSHRALDH1A1DNM1MEN1KMT2A
Decane SCHEMBL28387770 1.00 TSHR (0.60) TSHRALDH1A1DNM1MEN1KMT2A
Dodecane SCHEMBL28891142 1.00 TSHR (0.60) TSHRALDH1A1DNM1MEN1KMT2A
Decane SCHEMBL28689347 0.97 TSHR (0.57) TSHRALDH1A1DNM1MEN1KMT2A
Octane SCHEMBL28073373 0.97 TSHR (0.57) TSHRALDH1A1DNM1MEN1KMT2A
Hexane SCHEMBL28274176 0.97 ALDH1A1 (0.60) TSHRALDH1A1DNM1MEN1KMT2A
Dodecane SCHEMBL27547795 0.92 TSHR (0.52) TSHRALDH1A1DNM1MEN1KMT2A
Allylamine SCHEMBL28887823 0.92 DNM1 (0.68) TSHRALDH1A1DNM1MEN1KMT2A
Pentane SCHEMBL28335286 0.90
Allylamine SCHEMBL28625467 0.89 TSHR (0.50) TSHRALDH1A1DNM1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605529-B Photochromic polydiorganosiloxane vinyl cross-linking agent 爱尔康公司 2024-03-26 CN disclosed
CN-116888193-A Polysiloxane vinyl cross-linking agent with high refractive index 爱尔康公司 2023-10-13 CN disclosed
CN-110621483-B Silicone hydrogel contact lenses 爱尔康公司 2021-10-29 CN disclosed
CN-113480736-A Hydrophilized polydiorganosiloxane vinyl crosslinkers and uses thereof 爱尔康公司 2021-10-08 CN disclosed
CN-108473681-B Hydrophilized polydiorganosiloxane vinyl crosslinkers and uses thereof 爱尔康公司 2021-07-20 CN disclosed
CN-106716182-B Polymerizable polysiloxane with hydrophilic substituent 爱尔康公司 2020-06-12 CN disclosed
CN-110621483-A Silicone hydrogel contact lenses 爱尔康公司 2019-12-27 CN disclosed