SCHEMBL9453333

SCHEMBL9453333

CCCCCCC(C#N)(C#N)CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL27908434 0.95 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9237767 0.90 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL11857578 0.89 TSHR (0.41) TSHRTHRBFDPS
SCHEMBL2489307 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2485820 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2484932 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2490319 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2487768 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2487540 0.87 CES2 (0.37) TSHRTHRBGGPS1FDPSCES2
SCHEMBL2486344 0.84 CES2 (0.34) TSHRCES2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000142-A None JP disclosed
US-5221603-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-22 US disclosed
EP-0314425-B1 NON-IONIC SURFACE ACTIVE COMPOUNDS AND PHOTOGRAPHIC MATERIALS CONTAINING THEM EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-10-28 EP disclosed
US-4892806-A N,N'-BIS(D-GLYCONYL)PROPANE-1,3-DIAMINES EASTMAN KODAK COMPANY (US) 1990-01-09 US disclosed
JP-H02142-A WATER-SOLUBLE SURFACE ACTIVE COMPOUND EASTMAN KODAK CO 1990-01-05 JP disclosed
EP-0314425-A2 Non-ionic surface active compounds and photographic materials containing them EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-05-03 EP disclosed