SCHEMBL2763331

SCHEMBL2763331

CCCC[CH]C1=CCC(CC)CC1

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
SCHEMBL27934125 0.75 TRPA1 (0.50)
SCHEMBL10628017 0.75 TRPA1 (0.35)
SCHEMBL30297411 0.70 CYP1A2 (0.37)
SCHEMBL12654511 0.70 TRPA1 (0.45)
SCHEMBL9213136 0.69 TSHR (0.30)
SCHEMBL31612215 0.69 TRPA1 (0.44)
SCHEMBL791251 0.68 PSMB5 (0.31)
SCHEMBL11252858 0.66
SCHEMBL11199421 0.66 ESR2 (0.47)
SCHEMBL13370186 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109007-B1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY HODOGAYA CHEMICAL CO LTD (JP) 2013-06-12 EP disclosed
US-8247144-B2 Photoreceptor for electrophotography HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 US disclosed
US-20100130786-A1 METHOD FOR PRODUCING TRIARYLAMINE COMPOUND HODOGAYA CHEMICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100104964-A1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY HODOGAYA CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed
EP-2157077-A1 METHOD FOR PRODUCING TRIARYLAMINE COMPOUND Hodogaya Chemical Co., Ltd. (JP) 2010-02-24 EP disclosed
EP-2109007-A1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY Hodogaya Chemical Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20030189190-A1 Fluorescent material of cyclic phenol sulfide associated with metal and composition thereof COSMO OIL CO., LTD. (JP) 2003-10-09 US disclosed
US-20030060637-A1 Cyclic aniline sulfide and process for preparing the same COSMO OIL CO., LTD. 2003-03-27 US disclosed
EP-1264872-A1 FLUORESCENT MATERIAL OF CYCLIC PHENOL SULFIDE ASSOCIATED WITH METAL AND COMPOSITION THEREOF COSMO OIL CO., LTD (JP) 2002-12-11 EP disclosed
EP-1264830-A1 CYCLIC ANILINE SULFIDES AND PROCESS FOR PREPARING THE SAME COSMO OIL CO., LTD (JP) 2002-12-11 EP disclosed
EP-0882724-B1 CYCLIC PHENOL SULFIDE CONTAINING SULFINYL OR SULFONYL GROUP AND PROCESS FOR PREPARING THE SAME COSMO RES INST (JP) 2001-11-07 EP disclosed
EP-0731102-B1 Cyclic phenol sulfide and process for producing the same COSMO RES INST (JP) 2001-11-07 EP disclosed
US-5998631-A Cyclic phenol sulfide having at least one sulfinyl or sulfonyl group and process for producing the same COSMO RESEARCH INSTITUTE (JP) 1999-12-07 US disclosed
EP-0882724-A1 CYCLIC PHENOL SULFIDE CONTAINING SULFINYL OR SULFONYL GROUP AND PROCESS FOR PREPARING THE SAME COSMO RESEARCH INSTITUTE (JP) 1998-12-09 EP disclosed
US-5824808-A Cyclic phenol sulfide and process for producing the same COSMO RESEARCH INSTITUTE (JP) 1998-10-20 US disclosed
EP-0731102-A1 Cyclic phenol sulfide and process for producing the same COSMO RESEARCH INSTITUTE (JP) 1996-09-11 EP disclosed