SCHEMBL1680238

SCHEMBL1680238

C=CC[N]C1CCC1

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
SCHEMBL1680251 0.95
SCHEMBL1680461 0.92 EPHX1 (0.35)
SCHEMBL1680402 0.89
SCHEMBL7423180 0.78
SCHEMBL10827719 0.77 CHRM2 (0.34)
SCHEMBL10828112 0.70
SCHEMBL5111266 0.68 MITF (0.36)
SCHEMBL3258793 0.64
SCHEMBL5608433 0.64 EPHX1 (0.54)
SCHEMBL6254130 0.64 GAA (0.39)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147104-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-4,5-DIHYDRO-1 H-PYRAZOLE-5- CARBOXYLATE FMC CORPORATION (US) 2023-08-03 WO disclosed
US-20230086433-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE FMC IP TECHNOLOGY GMBH (CH) 2023-03-23 US disclosed
EP-4017847-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES OF 3-BROMO-4,5-DIHYDRO-1H-PYRAZOLES FMC CORPORATION (US) 2022-06-29 EP disclosed
WO-2021142344-A1 METHODS FOR THE PREPARATION OF ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE FMC CORPORATION (US) 2021-07-15 WO disclosed
WO-2021034904-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES OF 3-BROMO-4,5-DIHYDRO-1H-PYRAZOLES FMC CORPORATION (US) 2021-02-25 WO disclosed
EP-1417175-B1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE DU PONT (US) 2013-07-24 EP disclosed
US-7932395-B2 Substituted 1H-dihydropyrazoles, their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-26 US disclosed
EP-1417200-B1 SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE DU PONT (US) 2010-06-02 EP disclosed
US-20100029950-A1 NOVEL SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-04 US disclosed
US-7622595-B2 chemical intermediates to insecticides and anticoagulant inhibitors of factor Xa having a 1-halophenyl-3-trifluoromethylpyrazole moeity; 1-(1-chloro-2-phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-24 US disclosed
US-20060128965-A1 Novel substituted 1H-dihydropyrazoles, their preparation and use ANNIS GARY D 2006-06-15 US disclosed
US-7038057-B2 Substituted 1H-dihydropyrazoles, their preparation and use E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-05-02 US disclosed
US-6965032-B2 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates and their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-15 US disclosed
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine FMC CORPORATION 2005-11-03 US disclosed
US-20040198987-A1 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates their preparation and use FMC CORPORATION 2004-10-07 US disclosed
US-20040171649-A1 Novel substituted 1h-dihydropyrazoles, their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-02 US disclosed
EP-1417175-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
EP-1417200-A2 SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
WO-2003016283-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed
WO-2003016282-A2 SUBSTITUTED 1H-DIHYDROPYRAZOLES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO disclosed