SCHEMBL3983222

SCHEMBL3983222

CC(C)(C(N)=O)C1COCCO1

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
SCHEMBL12505552 0.84
SCHEMBL10897425 0.76
SCHEMBL8283501 0.74 EPHX1 (0.31)
SCHEMBL9004334 0.72 CHRM2 (0.34)
SCHEMBL17264874 0.71 CHRM2 (0.37)
SCHEMBL9868926 0.71 CHRM2 (0.37)
SCHEMBL17264875 0.71 CHRM2 (0.37)
SCHEMBL8472385 0.69
SCHEMBL8281878 0.69 CHRM2 (0.35)
SCHEMBL8281881 0.69 CHRM2 (0.35)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374011-A1 SUBSTITUTED TRICYCLIC COMPOUNDS UNICHEM LABORATORIES LTD. (IN) 2023-11-23 US disclosed
WO-2023194840-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN COVID-19 UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
WO-2023194842-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN RHEUMATOID ARTHRITIS UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
WO-2023194841-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN ULCERATIVE COLITIS UNICHEM LABORATORIES LIMITED (IN) 2023-10-12 WO disclosed
EP-4225442-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Unichem Laboratories Ltd (IN) 2023-08-16 EP disclosed
US-20090131720-A1 PROCESS FOR THE SYNTHESIS OF HYDROXYL ARYLAMINES XEROX CORPORATION (US) 2009-05-21 US disclosed
US-7482492-B2 Cost effective method for synthesis of triarylamine compounds XEROX CORPORATION (US) 2009-01-27 US disclosed
US-20080255389-A1 COST EFFECTIVE METHOD FOR SYNTHESIS OF TRIARYLAMINE COMPOUNDS XEROX CORPORATION (US) 2008-10-16 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-5484895-A OF A VASCULAR PLANT, A THERMOPLASTIC AND A GRAFTED LAYER MEISTER, JOHN J. 1996-01-16 US disclosed