SCHEMBL8623970

SCHEMBL8623970

CC(O)CC(C)C(C)(C)O.CC(O)CCC(C)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8578053 0.92 MAPK1 (0.36) MAPK1TDP1TSHR
SCHEMBL11788987 0.80 MAPK1 (0.32) MAPK1TDP1TSHR
SCHEMBL10336398 0.74 TSHR (0.44) MAPK1TDP1TSHR
SCHEMBL23607914 0.74 MAPK1 (0.35) MAPK1TDP1TSHR
Hexylene Glycol SCHEMBL25303032 0.74 MAPK1 (0.35) MAPK1TDP1TSHR
SCHEMBL28963073 0.73 TRPV1 (0.36) MAPK1
SCHEMBL18561858 0.73 MAPK1 (0.38) MAPK1TDP1TSHR
SCHEMBL8234804 0.73 ALDH1A1 (0.33) MAPK1TSHR
SCHEMBL16074680 0.73 TSHR (0.37) MAPK1TDP1TSHR
SCHEMBL2826341 0.73 MAPK1 (0.38) MAPK1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed