SCHEMBL8979939

SCHEMBL8979939

CCCCCCCC(N)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.52
FDPS P14324 2/20 0.42
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 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
SCHEMBL16618547 1.00 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL27995345 1.00 SMPD1 (0.52) SMPD1FDPSTSHRTHRBDNM1
Bromide SCHEMBL28555831 0.98 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
Bromide SCHEMBL28564667 0.98 SMPD1 (0.50) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8979977 0.98 SMPD1 (0.48) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL9295299 0.91 SMPD1 (0.44) SMPD1FDPS
SCHEMBL16618735 0.90 SMPD1 (0.41) SMPD1FDPSTSHR
Hydrochloric Acid SCHEMBL7700747 0.82 SMPD1 (0.36) SMPD1
SCHEMBL3720586 0.79 FDPS (0.33) SMPD1FDPS
SCHEMBL9682320 0.79 SMPD1 (0.50) SMPD1FDPSTSHRTHRBMEN1

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 8 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
CN-111356755-A Fuel-efficient passenger car lubricating oil composition 雪佛龙日本有限公司 2020-06-30 CN disclosed
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