SCHEMBL1065644

SCHEMBL1065644

[CH]1C2CCCCC12

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
SCHEMBL221478 0.91
SCHEMBL22682851 0.91
SCHEMBL34914 0.81 ALDH1A1 (0.30)
SCHEMBL5465232 0.75 ALDH1A1 (0.41)
SCHEMBL17554512 0.73
SCHEMBL18145177 0.73 ALDH1A1 (0.39)
SCHEMBL551724 0.73 ALDH1A1 (0.39)
SCHEMBL1047397 0.73
SCHEMBL6323393 0.70 ALDH1A1 (0.41)
SCHEMBL7120115 0.70 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-6048667-A FREE RADICALS OR CATION POLYMERIZABLE OR PHOTOCROSSLINKABLE MONOMERS, SUBSTRATES AND PHOTOINITIATORS, BONDING WITH SUBSTRATES CIBA SPECIALTY CHEMICALS CORP. (US) 2000-04-11 US claimed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP claimed
EP-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP claimed
EP-0247431-A1 Substituted 6-hydroxymethylcarbapenem antibiotics, process for their preparation and their use BAYER AG (DE) 1987-12-02 EP claimed
JP-62138469-A None JP disclosed
WO-2024146945-A1 NOVEL CARBOXAMIDE AND SULFONAMIDE PESTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-11 WO disclosed
WO-2024126650-A1 NOVEL BICYCLIC-CARBOXAMIDE COMPOUNDS USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-06-20 WO disclosed
WO-2024089216-A1 NOVEL SULFUR-CONTAINING HETEROARYL CARBOXAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-05-02 WO disclosed
WO-2024033374-A1 NOVEL ARYLCARBOXAMIDE OR ARYLTHIOAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-02-15 WO disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed
US-4863916-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0247431-A1 Substituted 6-hydroxymethylcarbapenem antibiotics, process for their preparation and their use BAYER AG (DE) 1987-12-02 EP disclosed
JP-S62138469-A INDOLE DERIVATIVE YOSHITOMI PHARMACEUT IND LTD 1987-06-22 JP disclosed
US-3970654-A Antiviral 2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-20 US disclosed