Pentane

Pentane

SCHEMBL8575711

CCCCC.COCCO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
MAPK1 P28482 1/20 0.35

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
Heptane SCHEMBL9805577 0.92 MEN1 (0.58) TSHRMEN1KMT2ATHRBHTT
2-Methoxyethanol SCHEMBL10532183 0.92 TSHR (0.59) TSHRMEN1KMT2ATHRBHTT
Octane SCHEMBL7612384 0.92 MEN1 (0.58) TSHRMEN1KMT2ATHRBHTT
Nonane SCHEMBL28576520 0.92 MEN1 (0.58) TSHRMEN1KMT2ATHRBHTT
Butyl Alcohol SCHEMBL4906832 0.92 ALDH1A1 (0.61) TSHRMEN1KMT2ATHRBHTT
1-Pentanol SCHEMBL28150292 0.89 SMN1; SMN2 (0.63) TSHRMEN1KMT2ATHRBHTT
2-Methoxyethanol SCHEMBL4885313 0.88
2-Methoxyethanol SCHEMBL2678565 0.88
2-Methoxyethanol SCHEMBL28200431 0.87
Cetyl Alcohol SCHEMBL28922713 0.87 TSHR (0.65) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714598-A Sulfated acid amides having anticoagulant properties RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1998-02-03 US disclosed
WO-1997012893-A1 SULFATED ACID AMIDES HAVING ANTICOAGULANT PROPERTIES RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1997-04-10 WO disclosed
US-5589588-A Sulfated acid amides having anticoagulant properties RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 1996-12-31 US disclosed