SCHEMBL8979923

SCHEMBL8979923

CCCCCCC(N)(OC)OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.53
FDPS P14324 2/20 0.43
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
DNM1 Q05193 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
GGPS1 O95749 1/20 0.37

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
SCHEMBL16618581 1.00 SMPD1 (0.53) SMPD1FDPSTSHRTHRBSPHK2
SCHEMBL16618698 0.97 SMPD1 (0.50) SMPD1FDPSTSHRTHRBSPHK2
SCHEMBL39316 0.90 SMPD1 (0.42) SMPD1FDPSTSHRTHRBSPHK2
SCHEMBL27995345 0.78 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL16618547 0.78 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8979939 0.78 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL28582904 0.77 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL21180176 0.77 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL18577823 0.77 SMPD1 (0.45) SMPD1FDPSTSHRTHRBDNM1
Bromide SCHEMBL28555831 0.76 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1

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
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP claimed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO claimed
US-20160207879-A1 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS AND DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES INC (US) 2016-07-21 US disclosed
WO-2015050656-A2 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES, INC. (US) 2015-04-09 WO disclosed
EP-0576445-B1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SAN MARTINO SPA (IT) 1996-05-15 EP disclosed
US-5468422-A Composition for use in washing and cleansing vulcanization molds SILVANI ANTINCEDI (IT) 1995-11-21 US disclosed
WO-1992016346-A1 A COMPOSITION FOR USE IN WASHING AND CLEANSING VULCANIZATION MOLDS SILVANI ANTINCENDI S.P.A (IT) 1992-10-01 WO disclosed