SCHEMBL135947

SCHEMBL135947

Cc1ccc(C#N)[c]n1

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
SCHEMBL9098548 0.73
SCHEMBL7757978 0.73
SCHEMBL4924804 0.72
SCHEMBL7958993 0.72 KIF11 (0.31)
SCHEMBL7956130 0.72 CYP2A6 (0.33)
SCHEMBL7952280 0.71 KDM4E (0.33)
SCHEMBL7954011 0.70 KDM4E (0.38)
SCHEMBL8950657 0.69 TSHR (0.37)
SCHEMBL19304857 0.69 TDP1 (0.39)
SCHEMBL7956060 0.67 KCNH2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-A1 GLYCINE COMPOUND Astellas Pharma Inc. (JP) 2012-07-25 EP claimed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP claimed
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP claimed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US claimed
WO-2010089119-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-08-12 WO claimed
EP-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP claimed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO claimed
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
EP-2903440-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLING AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-06 EP disclosed
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
US-4009168-A STABILIZERS FOR POLYOLEFINS UBE INDUSTRIES, LTD. (JA) 1977-02-22 US disclosed