⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL396123 | 0.85 | ADCY6 (0.41) | — | |
| SCHEMBL2469968 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL29205164 | 0.82 | PNMT (0.38) | — | |
| SCHEMBL2470150 | 0.80 | — | — | |
| SCHEMBL5644260 | 0.69 | — | — | |
| SCHEMBL21041640 | 0.64 | HTR2C (0.45) | — | |
| SCHEMBL4948702 | 0.64 | — | — | |
| SCHEMBL2560588 | 0.62 | CHRNB2 (0.44) | — | |
| SCHEMBL18763451 | 0.62 | — | — | |
| SCHEMBL397493 | 0.61 | HTR2C (0.46) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2370437-B1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2013-09-04 | — | — | EP | claimed |
| US-8309578-B2 | Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-11-13 | — | — | US | claimed |
| US-20110294790-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2011-12-01 | — | — | US | claimed |
| EP-2370437-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | Nerviano Medical Sciences S.r.l. (IT) | 2011-10-05 | — | — | EP | claimed |
| WO-2010060854-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2010-06-03 | — | — | WO | claimed |
| WO-2015043492-A1 | SUBSTITUTED UREA DERIVATIVES AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-04-02 | — | — | WO | disclosed |
| US-8642587-B2 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-02-04 | — | — | US | disclosed |
| EP-2370437-B1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2013-09-04 | — | — | EP | disclosed |
| US-8309578-B2 | Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-11-13 | — | — | US | disclosed |
| EP-2396323-A1 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use as inhibitors of the glycine transporter 1 | Abbott GmbH & Co. KG (DE) | 2011-12-21 | — | — | EP | disclosed |
| US-20110294790-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2011-12-01 | — | — | US | disclosed |
| EP-2370437-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | Nerviano Medical Sciences S.r.l. (IT) | 2011-10-05 | — | — | EP | disclosed |
| US-7879848-B2 | good inhibition activity versus Dipeptidyl Peptidase-IV (DPP-IV); Diabetes mellitus, obesity; 3-[2S-amino-4-oxo-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-butyl]-oxazolidin-2-one; compounds having an optionally substituted lactam ring structure | LG LIFE SCIENCES, LTD. (KR) | 2011-02-01 | — | — | US | disclosed |
| US-20110009378-A1 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO. KG (DE) | 2011-01-13 | — | — | US | disclosed |
| WO-2010092181-A1 | HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | ABBOTT GMBH & CO. KG (DE) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010060854-A1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2010-06-03 | — | — | WO | disclosed |