⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4060689 | 0.89 | — | — | |
| SCHEMBL20856843 | 0.78 | — | — | |
| SCHEMBL1294254 | 0.77 | — | — | |
| SCHEMBL4608352 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL6433946 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL6433945 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL11672310 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL11860506 | 0.71 | — | — | |
| SCHEMBL8378245 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL11014270 | 0.71 | TSHR (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130196984-A1 | 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES | SIENA BIOTECH S.P.A. (IT) | 2013-08-01 | — | — | US | disclosed |
| US-20120214806-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES | ANDREINI MATTEO (IT) | 2012-08-23 | — | — | US | disclosed |
| CN-102639516-A | 3-amino-5-phenyl-5, 6-dihydro-2H- [1,4] oxazine derivatives | HOFFMANN LA ROCHE | 2012-08-15 | — | — | CN | disclosed |
| EP-2467368-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | disclosed |
| US-8188079-B2 | 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| WO-2011020806-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-24 | — | — | WO | disclosed |
| US-20110046122-A1 | 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES | SIENA BIOTECH S.P.A. (IT) | 2011-02-24 | — | — | US | disclosed |