SCHEMBL77971

SCHEMBL77971

Cc1cccnc1F

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
SCHEMBL30937183 1.00
SCHEMBL28293051 0.87 NOS3 (0.42)
Formic Acid SCHEMBL28079694 0.87 NAPRT (0.46)
SCHEMBL5790425 0.77 ALDH1A1 (0.61)
SCHEMBL196235 0.72 CYP2A6 (0.61)
SCHEMBL29365135 0.72
SCHEMBL255507 0.72
SCHEMBL29924154 0.72 CYP2A6 (0.61)
SCHEMBL29457380 0.72
SCHEMBL65397 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304713-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2024-01-17 EP claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-114361590-B Electrolyte additive for lithium ion battery, electrolyte and lithium ion battery 松山湖材料实验室 2023-07-25 CN claimed
EP-4025572-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2022-07-13 EP claimed
CN-114361590-A Lithium ion battery electrolyte additive, electrolyte and lithium ion battery 松山湖材料实验室 2022-04-15 CN claimed
WO-2021046447-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO claimed
US-20210070744-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 US claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
CN-106432222-A 8-chloro-1-cyclopropyl-7-fluorine-9-methyl-4-oxygen-4-hydrogen-quinolizine-3-carboxylic ester and preparation method thereof 丹诺医药(苏州)有限公司 2017-02-22 CN claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
CN-103429589-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2013-12-04 CN claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO claimed
EP-0495939-A4 SEQUENTIAL C-TERMINAL DEGRADATION OF PEPTIDES AND PROTEINS 1992-11-25 EP claimed
EP-0495939-A1 SEQUENTIAL C-TERMINAL DEGRADATION OF PEPTIDES AND PROTEINS. HOPE CITY (US) 1992-07-29 EP claimed
WO-1992003737-A1 SEQUENTIAL C-TERMINAL DEGRADATION OF PEPTIDES AND PROTEINS CITY OF HOPE (US) 1992-03-05 WO claimed