⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28892029 | 0.80 | FAAH (0.39) | — | |
| SCHEMBL17926752 | 0.78 | — | — | |
| SCHEMBL30075107 | 0.78 | — | — | |
| SCHEMBL518554 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6207350 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28507568 | 0.74 | FAAH (0.43) | — | |
| SCHEMBL24641068 | 0.73 | — | — | |
| SCHEMBL5610307 | 0.73 | FAAH (0.42) | — | |
| SCHEMBL29875445 | 0.73 | — | — | |
| SCHEMBL11496060 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130090333-A1 | BENZOXAZINE DERIVATIVES AS CRAC MODULATORS | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013050341-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| US-20130090333-A1 | BENZOXAZINE DERIVATIVES AS CRAC MODULATORS | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013050270-A1 | BENZOXAZINE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| US-20130090333-A1 | BENZOXAZINE DERIVATIVES AS CRAC MODULATORS | HOFFMANN-LA ROCHE INC. (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090334-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | Hoffmann-La Roche Inc (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090334-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | Hoffmann-La Roche Inc (US) | 2013-04-11 | — | — | US | disclosed |
| US-20130090334-A1 | AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS | Hoffmann-La Roche Inc (US) | 2013-04-11 | — | — | US | disclosed |
| EP-2480529-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011036130-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| US-20110071150-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | ALAM MUZAFFAR | 2011-03-24 | — | — | US | disclosed |