SCHEMBL9977657

SCHEMBL9977657

Cc1cnnc(I)c1

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
SCHEMBL353390 0.72
SCHEMBL21719148 0.69 GABRA1 (0.31)
SCHEMBL19596858 0.69
SCHEMBL17913163 0.68
SCHEMBL20903247 0.68
SCHEMBL25404550 0.68
SCHEMBL2629419 0.68
SCHEMBL2629422 0.68
SCHEMBL30356599 0.68
SCHEMBL28205048 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230225142-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-07-13 US disclosed
US-11641753-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-05-02 US disclosed
US-20230069900-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-03-09 US disclosed
US-20230019868-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-19 US disclosed
US-20220115600-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-04-14 US disclosed
US-20220093878-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-03-24 US disclosed
US-10249830-B2 Carbazole-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-02 US disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 WO disclosed
US-20190058144-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-02-21 US disclosed
US-20170077419-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 US disclosed
WO-2015157187-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-10-15 WO disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 WO disclosed