SCHEMBL4128979

SCHEMBL4128979

CCCn1nc(C(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9056907 0.95
SCHEMBL9059055 0.88
SCHEMBL9040776 0.84
SCHEMBL9041926 0.84
SCHEMBL9056001 0.83
SCHEMBL9057804 0.82 AGTR1 (0.51)
SCHEMBL8695272 0.81
SCHEMBL9043827 0.79 AGTR1 (0.68)
SCHEMBL9041141 0.79
SCHEMBL3265203 0.78 AGTR1 (0.44)

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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO claimed
US-10149909-B2 Fortifier TORAY INDUSTRIES, INC. (JP) 2018-12-11 US disclosed
US-20170080089-A1 FORTIFIER TORAY INDUSTRIES, INC. (JP) 2017-03-23 US disclosed
US-9546145-B2 Combination therapy for the treatment of chronic renal failure with an angiotensin II receptor antagonist and beraprost TORAY INDUSTRIES, INC. (JP) 2017-01-17 US disclosed
US-20090176848-A1 FORTIFIER TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) 2009-07-09 US disclosed
US-20060217421-A1 Fortifier TORAY INDUSTRIES, INC. (JP) 2006-09-28 US disclosed