⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1327128 | 0.99 | — | — | |
| SCHEMBL2883268 | 0.77 | S1PR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2889288 | 0.76 | S1PR1 (0.33) | — | |
| SCHEMBL1327166 | 0.75 | HTR2C (0.33) | — | |
| SCHEMBL1325707 | 0.74 | S1PR1 (0.33) | — | |
| SCHEMBL9290582 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1325851 | 0.73 | CHRM5 (0.33) | — | |
| SCHEMBL1326942 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1326989 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1325848 | 0.72 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115139-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-25 | — | — | US | disclosed |
| US-9115139-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-25 | — | — | US | disclosed |
| US-8324201-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-04 | — | — | US | disclosed |
| US-8324201-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-04 | — | — | US | disclosed |
| US-8318722-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8318722-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8314088-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-20 | — | — | US | disclosed |
| US-8314088-B2 | Pyrazinooxazepine derivatives | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-20 | — | — | US | disclosed |
| US-20120135979-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20120135979-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-31 | — | — | US | disclosed |
| US-20110288291-A1 | PYRAZINOOXAZEPINE DERIVATIVES | SASAKI SHIGEKAZU (JP) | 2011-11-24 | — | — | US | disclosed |
| US-20110288291-A1 | PYRAZINOOXAZEPINE DERIVATIVES | SASAKI SHIGEKAZU (JP) | 2011-11-24 | — | — | US | disclosed |
| US-20110282054-A1 | PYRAZINOOXAZEPINE DERIVATIVES | SASAKI SHIGEKAZU (JP) | 2011-11-17 | — | — | US | disclosed |
| US-20110282054-A1 | PYRAZINOOXAZEPINE DERIVATIVES | SASAKI SHIGEKAZU (JP) | 2011-11-17 | — | — | US | disclosed |
| WO-2010147226-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-23 | — | — | WO | disclosed |
| US-20100317651-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-12-16 | — | — | US | disclosed |
| US-20100317651-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-12-16 | — | — | US | disclosed |