⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395943 | 0.78 | — | — | |
| SCHEMBL812374 | 0.78 | — | — | |
| SCHEMBL79108 | 0.78 | — | — | |
| SCHEMBL2811957 | 0.78 | — | — | |
| SCHEMBL2221546 | 0.78 | — | — | |
| SCHEMBL23072542 | 0.71 | TTR (0.36) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27775236 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL16950874 | 0.67 | TP53 (0.46) | — | |
| SCHEMBL16958532 | 0.67 | — | — | |
| SCHEMBL16958089 | 0.67 | GABRA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| WO-2009085797-A1 | PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-07-09 | — | — | WO | disclosed |