⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9287280 | 0.84 | METAP2 (0.33) | — | |
| SCHEMBL15434727 | 0.81 | HTT (0.31) | — | |
| SCHEMBL16479772 | 0.79 | — | — | |
| SCHEMBL857922 | 0.78 | HTT (0.33) | — | |
| SCHEMBL15434673 | 0.78 | — | — | |
| SCHEMBL15508502 | 0.78 | — | — | |
| SCHEMBL15434677 | 0.76 | GSR (0.30) | — | |
| SCHEMBL16461308 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL855416 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL9289682 | 0.74 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140018347-A1 | BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2014-01-16 | — | — | US | disclosed |