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 — —
SCHEMBL5284593 0.70 — —
SCHEMBL19604174 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
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