SCHEMBL8682185

SCHEMBL8682185

CCCCCCCCCCCCCCCCCCc1nc(CCO)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.38

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
SCHEMBL5186754 1.00 GPR84 (0.42) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL31273830 0.93 KCNH2 (0.44) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL28169724 0.93 KCNH2 (0.44) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL28284440 0.93 KCNH2 (0.44) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL29077364 0.93 KCNH2 (0.44) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL28061862 0.93 KCNH2 (0.44) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL8435155 0.93 HRH3 (0.42) GPR84ALDH1A1PKMHPGD
Ammonia Solution, Strong SCHEMBL28122086 0.92 KCNH2 (0.43) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL730079 0.90 KCNH2 (0.50) GPR84ALDH1A1PKMHPGDKCNH2
SCHEMBL9817100 0.90 KCNH2 (0.50) GPR84ALDH1A1PKMHPGDKCNH2

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-5840664-A EXCHANGING BISMUTH CARBOXYLATE WITH METAL DITHIOCARBAMATE; WEAR RESISTANT LUBRICANT FOR NATURAL OR SYNTHETIC OILS R. T. VANDERBILT COMPANY, INC. (US) 1998-11-24 US claimed
US-5840664-A EXCHANGING BISMUTH CARBOXYLATE WITH METAL DITHIOCARBAMATE; WEAR RESISTANT LUBRICANT FOR NATURAL OR SYNTHETIC OILS R. T. VANDERBILT COMPANY, INC. (US) 1998-11-24 US disclosed
US-5631214-A EXCHANGE REACTION BETWEEN BISMUTH CARBOXYLATE AND METAL DITHIOCARBAMATE R.T. VANDERBILT COMPANY, INC. (US) 1997-05-20 US disclosed