SCHEMBL10029554

SCHEMBL10029554

CC(C)c1nn[nH]c1S

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
SCHEMBL16851696 0.72
SCHEMBL19604174 0.70
SCHEMBL5284593 0.70
SCHEMBL5276188 0.67 HCAR3 (0.31)
SCHEMBL19589354 0.67 SMPD3 (0.30)
SCHEMBL9865874 0.65
SCHEMBL16921905 0.64 GLP1R (0.30)
SCHEMBL5321218 0.64 ALDH1A1 (0.33)
SCHEMBL20077039 0.64
SCHEMBL16921936 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016868-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2024-06-25 US disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 US disclosed
US-20230357175-A1 RAR-ALPHA COMPOUNDS FOR INFLAMMATORY DISEASE AND MALE CONTRACEPTION Orphagen Pharmaceuticals, Inc. 2023-11-09 US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2023-09-07 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2023-06-27 US disclosed
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-02-09 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-8680136-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20090221564-A1 Heterocyclic Compounds and Their Use in the Treatment of Cardiovascular Disease TRIGEN LIMITED (GB) 2009-09-03 US disclosed
US-7459473-B2 N-linked sulfonamides of N-heterocyclic carboxylic acids or carboxylic acid isosteres GLIA MED, INC. (US) 2008-12-02 US disclosed
US-7265150-B1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds for vision and memory disorders GPI NIL HOLDINGS INC. (US) 2007-09-04 US disclosed
US-7265150-B1 Carboxylic acids and carboxylic acid isosteres of N-heterocyclic compounds for vision and memory disorders GPI NIL HOLDINGS INC. (US) 2007-09-04 US disclosed
US-7253169-B2 Aza compounds, pharmaceutical compositions and methods of use GLIAMED, INC. (US) 2007-08-07 US disclosed
US-7253169-B2 Aza compounds, pharmaceutical compositions and methods of use GLIAMED, INC. (US) 2007-08-07 US disclosed