SCHEMBL178431

SCHEMBL178431

CNC(C)C(F)(F)F

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
SCHEMBL4792153 1.00
SCHEMBL14293624 1.00
Hydrochloric Acid SCHEMBL5230981 0.97
SCHEMBL25091473 0.76
SCHEMBL21916823 0.76
SCHEMBL529993 0.74 TDP1 (0.31)
SCHEMBL22787049 0.73
SCHEMBL13103869 0.69
SCHEMBL12885915 0.69
SCHEMBL21712295 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699547-B1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP claimed
US-20260069571-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2026-03-12 US disclosed
EP-4426688-B1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA LTD (GB) 2025-12-03 EP disclosed
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 EP disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 US disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 EP disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
WO-2024062250-A1 IMIDAZOLYL-AMINO-PYRAZINE-CARBONITRILS AS CHK-1 INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2024-03-28 WO disclosed
EP-3615537-B1 6-6 FUSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS NOVARTIS AG (CH) 2024-03-06 EP disclosed
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 US disclosed
US-20130209937-A1 Polymerizable Fluorine-Containing Sulfonate, Fluorine-Containing Sulfonate Resin, Resist Composition And Pattern-Forming Method Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-08-15 US disclosed
US-20130209938-A1 Fluorine-Containing Sulfonic Acid Salts, Photo-Acid Generator And Resist Composition And Pattern Formation Method Utilizing Same CENTRAL GLASS COMPANY, LTD. (JP) 2013-08-15 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
US-20080021045-A1 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) 2008-01-24 US disclosed
EP-1513843-B1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS BAYER CROPSCIENCE AG (DE) 2007-07-04 EP disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 WO disclosed