SCHEMBL4052885

SCHEMBL4052885

SC(S)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 3/20 0.54
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KIF11 P52732 1/20 0.42
IDO1 P14902 1/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
KCNA5 P22460 1/20 0.41
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
CALM1 P0DP23 1/20 0.39
FDPS P14324 1/20 0.39
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
TRPA1 O75762 1/20 0.36
TP53 P04637 1/20 0.36
KCNN4 O15554 1/20 0.36

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
SCHEMBL28605759 0.80 CYP2C9 (0.54) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL8586998 0.76 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL10700269 0.76 ALDH1A1 (0.42) CYP2C9CYP2C19CYP1A2TAAR1KIF11
SCHEMBL19743378 0.76 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL331052 0.76 SLC6A2 (0.50) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL10601271 0.75 TAAR1 (0.56) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL11860744 0.74 CYP1A2 (0.58) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL9063882 0.74 CYP1A2 (0.58) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL126749 0.74 CYP2C9 (0.58) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1
SCHEMBL5946723 0.74 CYP1A2 (0.58) CYP2C9CYP2C19CYP1A2SLC6A2TAAR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118007-A1 POLYHYDROXYALKANOATE COPOLYMER BEARING AN ACETOACETATE GROUP, COMPOSITION CONTAINING SAME AND COSMETIC USE THEREOF L'OREAL (FR) 2023-06-29 WO disclosed
US-11267953-B2 Iso(thio)cyanate composition, and resin composition including same for optical member HOYA LENS THAILAND LTD. (TH) 2022-03-08 US disclosed
EP-3957666-A1 ISO(THIO)CYANATE COMPOSITION, AND RESIN COMPOSITION INCLUDING SAME FOR OPTICAL MEMBER Hoya Lens Thailand Ltd. (TH) 2022-02-23 EP disclosed
EP-3269749-B1 ISO(THIO)CYANATE COMPOSITION, AND RESIN COMPOSITION INCLUDING SAME FOR OPTICAL MEMBER HOYA LENS THAILAND LTD (TH) 2021-12-01 EP disclosed
CN-107428897-B Iso (thio) cyanate composition and resin composition for optical member using the same 豪雅镜片泰国有限公司 2020-05-19 CN disclosed
US-20200123345-A1 ISO(THIO)CYANATE COMPOSITION, AND RESIN COMPOSITION INCLUDING SAME FOR OPTICAL MEMBER HOYA LENS THAILAND LTD. (TH) 2020-04-23 US disclosed
US-10544283-B2 Iso(thio)cyanate composition, and resin composition including same for optical member HOYA LENS THAILAND LTD. (TH) 2020-01-28 US disclosed
US-20180037722-A1 ISO(THIO)CYANATE COMPOSITION, AND RESIN COMPOSITION INCLUDING SAME FOR OPTICAL MEMBER HOYA LENS THAILAND LTD. (TH) 2018-02-08 US disclosed
EP-3269749-A1 ISO(THIO)CYANATE COMPOSITION, AND RESIN COMPOSITION INCLUDING SAME FOR OPTICAL MEMBER Hoya Lens Thailand Ltd. (TH) 2018-01-17 EP disclosed
WO-2016144534-A1 FLUORESCENT DYE ADDITIVE FOR FUNCTIONAL FLUIDS SPECTRONICS CORPORATION (US) 2016-09-15 WO disclosed
EP-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
EP-0644922-B2 FUNCTIONAL FLUID SOLUTIA INC (US) 2007-06-13 EP disclosed
WO-2006138081-A2 HIGH PERFORMANCE PHOSPHATE ESTER HYDRAULIC FLUID SOLUTIA INC. (US) 2006-12-28 WO disclosed
US-20060278846-A1 High performance phosphate ester hydraulic fluid SOLUTIA INC. 2006-12-14 US disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 WO disclosed
US-RE37101-E1 AIRCRAFT HYDRAULIC FLUIDS SOLUTIA INC. 2001-03-20 US disclosed
EP-0644922-B1 FUNCTIONAL FLUID MONSANTO CO (US) 1998-05-13 EP disclosed
US-5464551-A Aircraft hydraulic fluid MONSANTO COMPANY (US) 1995-11-07 US disclosed
EP-0644922-A1 FUNCTIONAL FLUID MONSANTO COMPANY (US) 1995-03-29 EP disclosed
WO-1993025641-A1 FUNCTIONAL FLUID MONSANTO COMPANY (US) 1993-12-23 WO disclosed