SCHEMBL8701172

SCHEMBL8701172

[CH]1CCC2CCCCCCC12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL35197 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL35146 0.97
SCHEMBL35082 0.92
SCHEMBL3292869 0.92
SCHEMBL16241604 0.92
SCHEMBL2896924 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL8614862 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL11373240 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL2899439 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL931318 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998004547-A1 CRYSTALLINE PYRIDINIUM DERIVATIVES AS PAF-ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
WO-1996033718-A1 AGENT FOR SEVERE ACUTE PANCREATITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed