SCHEMBL8360972

SCHEMBL8360972

COC(=O)c1c(OCC#N)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8692924 0.83 GCGR (0.35) ALDH1A1HPGD
SCHEMBL8360689 0.79 GCGR (0.36) ALDH1A1HPGD
SCHEMBL9726358 0.79 KDM4E (0.34) ALDH1A1HPGD
SCHEMBL9726307 0.78 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL9203684 0.78 GCGR (0.30)
SCHEMBL8693608 0.76 GCGR (0.34)
SCHEMBL9520755 0.74 CFTR (0.31)
SCHEMBL9520761 0.73 CFTR (0.36)
SCHEMBL8359305 0.73 KDM4E (0.38) ALDH1A1HPGD
SCHEMBL28769051 0.73 GCGR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877119-A HERBICIDE ROHM AND HAAS COMPANY (US) 1999-03-02 US disclosed
US-5843867-A Substituted pyridine compounds ROHM AND HAAS COMPANY (US) 1998-12-01 US disclosed
US-5824625-A HERBICIDES, HETEROCYCLIC GROUP(S) ATTACHED TO PYRIDINE RING ROHM AND HAAS COMPANY 1998-10-20 US disclosed
US-5643854-A HERBICIDES ROHM AND HAAS COMPANY (US) 1997-07-01 US disclosed
US-5512536-A HERBICIDE ROHN AND HAAS COMPANY (US) 1996-04-30 US disclosed
US-5391540-A Herbicides ROHM AND HAAS COMPANY (US) 1995-02-21 US disclosed
EP-0573575-A1 SUBSTITUTED PYRIDINE COMPOUNDS ROHM AND HAAS COMPANY (US) 1993-12-15 EP disclosed
US-5228897-A Herbicides MONSANTO COMPANY (US) 1993-07-20 US disclosed
WO-1992014711-A1 SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1992-09-03 WO disclosed
US-5125956-A Preemergence herbicides MONSANTO COMPANY (US) 1992-06-30 US disclosed