SCHEMBL1531114

SCHEMBL1531114

C#CC(C)Oc1c[c]c(F)cc1Cl

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
SCHEMBL1531081 0.82 CSNK2A1 (0.41)
SCHEMBL7931498 0.76 SLC2A1 (0.33)
SCHEMBL718547 0.72 NPC1 (0.41)
SCHEMBL7689433 0.72 NPC1 (0.36)
SCHEMBL6596714 0.72 ALDH1A1 (0.39)
SCHEMBL1531130 0.71 LMNA (0.42)
SCHEMBL5843340 0.71 TSHR (0.38)
SCHEMBL6592765 0.70 PPOX (0.48)
SCHEMBL27314988 0.69
SCHEMBL9769730 0.69 NPC1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 EP disclosed
CN-1083836-C Process for preparation of 3 -(substd. Phenyl) -5 - alkylidene -1, 3 -oxazolidine -2 ,4 -dione derivs. SAGAMI CHEM RES (JP) 2002-05-01 CN disclosed
EP-0812834-B1 PROCESS FOR THE PREPARATION OF 3-(SUBSTITUTED PHENYL)-5-ALKYLIDENE-1,3-OXAZOLIDINE-2,4-DIONE DERIVATIVES SAGAMI CHEM RES (JP) 2001-06-20 EP disclosed
US-6090946-A Process for the preparation of 3-(substituted phenyl)-5-alkylidene-1,3-oxazolidine-2,4-dione derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-07-18 US disclosed
CN-1175946-A Process for producing 3-substituted phenyl-5-alkylene-1, 3-oxazolidine-2, 4-dione derivative SAGAMI CHEM RES (JP) 1998-03-11 CN disclosed
EP-0812834-A1 PROCESS FOR THE PREPARATION OF 3-(SUBSTITUTED PHENYL)-5-ALKYLIDENE-1,3-OXAZOLIDINE-2,4-DIONE DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-12-17 EP disclosed