SCHEMBL800803

SCHEMBL800803

C=C(CN)C(C)C

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
SCHEMBL18607351 0.78
SCHEMBL21887192 0.75
SCHEMBL14207560 0.75
SCHEMBL18723239 0.72
SCHEMBL24023369 0.72
SCHEMBL18949085 0.71 GABBR2 (0.36)
SCHEMBL18163786 0.71
SCHEMBL20828758 0.71
SCHEMBL800649 0.71
SCHEMBL24026429 0.69 PAOX (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293701-A1 LIGAND COMPOUNDS, CONJUGATES, AND APPLICATIONS THEREOF ARGORNA PHARMACEUTICALS CO., LTD. (CN) 2023-09-21 US disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US disclosed
EP-3909957-A1 INTERNAL CYCLIC SULPHIAMIDINE AMIDE-ARYL AMIDE COMPOUND AND USE THEREOF FOR TREATING HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2021-11-17 EP disclosed
US-11168055-B2 Endocyclic thiamidinoamide-arylamide compound and use thereof for treating hepatitis B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2021-11-09 US disclosed
US-11008314-B2 Compounds and methods for modulating interleukin-2-inducible t-cell kinase CORVUS PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-20200399216-A1 ENDOCYCLIC THIAMIDINOAMIDE-ARYLAMIDE COMPOUND AND USE THEREOF FOR TREATING HEPATITIS B SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-24 US disclosed
EP-3653630-A1 ENDOCYCLIC THIAMIDINOAMIDE-ARYLAMIDE COMPOUND AND USE THEREOF FOR TREATING HEPATITIS B Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2020-05-20 EP disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed