⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17598466 | 0.75 | — | — | |
| SCHEMBL14733372 | 0.75 | — | — | |
| SCHEMBL14734391 | 0.75 | — | — | |
| SCHEMBL11052161 | 0.74 | — | — | |
| SCHEMBL855769 | 0.72 | — | — | |
| SCHEMBL21646387 | 0.70 | — | — | |
| SCHEMBL19433382 | 0.70 | — | — | |
| SCHEMBL21646389 | 0.70 | — | — | |
| SCHEMBL16306532 | 0.70 | — | — | |
| SCHEMBL21131882 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017164260-A1 | BENZOXAZINE COMPOUND, METHOD FOR PRODUCING SAME, AND BENZOXAZINE RESIN | 学校法人近畿大学 | 2017-09-28 | — | — | WO | disclosed |
| WO-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |