SCHEMBL12596

SCHEMBL12596

CCc1cc(C)ccn1

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
SCHEMBL31421768 1.00
Bromide SCHEMBL28271991 0.98 UHRF1 (0.50)
SCHEMBL27440094 0.98 UHRF1 (0.50)
SCHEMBL7463369 0.88 SREBF1 (0.43)
SCHEMBL30932457 0.83 UHRF1 (0.54)
SCHEMBL7893402 0.82 KDM4E (0.55)
Alcohol SCHEMBL4857638 0.80 UHRF1 (0.46)
SCHEMBL1443623 0.79
SCHEMBL510181 0.79
SCHEMBL510182 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025032111-A1 METHOD FOR RECOVERING METHYL AND VINYL SUBSTITUTED PYRIDINES ARXADA AG (CH) 2025-02-13 WO disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
EP-3983078-B1 NEXT-GENERATION MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) RYVU THERAPEUTICS S A (PL) 2023-11-15 EP disclosed
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 US disclosed
EP-0209376-A2 An electrolyte for electrolytic capacitor NIPPON CHEMI-CON CORPORATION (JP) 1987-01-21 EP disclosed
US-4493818-A Phosgene removal process THE DOW CHEMICAL COMPANY (US) 1985-01-15 US disclosed
US-4341720-A FROM AN OXALIC ACID COMPOUND AND PHOSPHORUS PENTACHLORIDE IN PRESENCE OF A TERTIARY AMINE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1982-07-27 US disclosed
EP-0009658-B1 PROCESS FOR THE PREPARATION OF OXALYL CHLORIDE BAYER AG (DE) 1981-08-26 EP disclosed
US-4212842-A HETEROCYCLIC IMINE PETROLITE CORPORATION (US) 1980-07-15 US disclosed
EP-0009658-A1 Process for the preparation of oxalyl chloride BAYER AG (DE) 1980-04-16 EP disclosed
US-4042602-A Synthesis of dideoxyzearalane and related compounds IMC CHEMICAL GROUP, INC. (US) 1977-08-16 US disclosed
US-3976593-A TRIETHANOLAMINE BISULFITE, CORROSION INHIBITOR PETROLITE CORPORATION (US) 1976-08-24 US disclosed