SCHEMBL9558017

SCHEMBL9558017

CCCCCCCCCC(O)C1CCCC(C(O)CCCCCCCCC)CCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FFAR1 O14842 1/20 0.41
GBA1 P04062 2/20 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
SCHEMBL3427003 0.96 TP53 (0.43)
SCHEMBL31562869 0.94 TP53 (0.47)
SCHEMBL8413380 0.94 TP53 (0.47)
SCHEMBL2858662 0.94 TP53 (0.47)
SCHEMBL11607011 0.94 TP53 (0.47)
SCHEMBL1663576 0.94 TP53 (0.45)
SCHEMBL4535941 0.92 TP53 (0.48)
SCHEMBL17099449 0.91 GPR84 (0.43) GPR84SPHK1FFAR1GBA1
SCHEMBL3490657 0.91 GPR84 (0.43) GPR84SPHK1FFAR1GBA1
SCHEMBL31562884 0.91 GPR84 (0.43) GPR84SPHK1FFAR1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183946-A Reacting a diol derivative with acetylene in presence of basic catalyst; used as chemical intermediate for producing polyurethane useful as hard durable protective coating after curing ISP INVESTMENTS INC. (US) 1993-02-02 US disclosed
EP-0456658-A4 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR 1992-10-07 EP disclosed
EP-0456658-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR ISP INVESTMENTS INC. (US) 1991-11-21 EP disclosed
WO-1990009364-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR GAF CHEMICALS CORPORATION (US) 1990-08-23 WO disclosed