SCHEMBL441664

SCHEMBL441664

[C]1C=Cc2ccccc21

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
SCHEMBL8616259 0.82
SCHEMBL6479631 0.80 KDM4E (0.35)
SCHEMBL9819931 0.76
SCHEMBL7600118 0.74
SCHEMBL1304032 0.72 CYP2A6 (0.31)
SCHEMBL709852 0.71 MAPT (0.39)
SCHEMBL1781175 0.69
SCHEMBL1162789 0.63
SCHEMBL20924 0.63 PARP1 (0.35)
SCHEMBL22635712 0.63 GAA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108156812-B Improved olefin metathesis catalysts 卑尔根技术交易股份公司 2022-09-30 CN claimed
EP-2603508-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2019-03-13 EP claimed
US-9924721-B2 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-27 US claimed
EP-3013821-B1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-03-14 EP claimed
EP-3241829-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2017-11-08 EP claimed
EP-2563786-B1 Ketoheteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH (DE) 2016-11-02 EP claimed
US-20160198713-A1 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US claimed
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US claimed
US-20160135461-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-19 US claimed
EP-2376487-B1 THIAZOLYL OXIME ETHER AND HYDRAZONES AS PLANT PROTECTION AGENT BAYER IP GMBH (DE) 2016-01-06 EP claimed
EP-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP claimed
WO-2010149275-A1 THIAZOLYLPIPERIDINE DERIVATES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-12-29 WO claimed
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US claimed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO claimed
US-20100137245-A1 Heteerocyclyl-substituted thiazoles as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-06-03 US claimed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO claimed
US-20090118320-A1 DERIVATIVES OF 5,9-METHANOCYCLOOCTA[B]PYRIDIN-2-(1H)-ONE, THEIR PREPARATION AND USE AS ANALGESICS ZHANG HESHENG 2009-05-07 US claimed
EP-2044937-A1 ANALGESIC 5, 9 - METHANOCYCLOOCTA (b) PYRIDIN - 2 (1H) - ONE DERIVATIVES, THEIR PREPARATION METHOD AND USE Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-04-08 EP claimed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US claimed
EP-0429341-A2 Heterocyclic derivatives, their preparation and pharmaceuticals containing them RHONE-POULENC SANTE (FR) 1991-05-29 EP claimed