⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16960031 | 0.81 | OPRL1 (0.33) | — | |
| SCHEMBL16953158 | 0.81 | ADRA2A (0.35) | — | |
| SCHEMBL16952966 | 0.79 | — | — | |
| SCHEMBL16952508 | 0.79 | HTR2C (0.41) | — | |
| SCHEMBL16956100 | 0.79 | NOTUM (0.33) | — | |
| SCHEMBL16955738 | 0.77 | — | — | |
| SCHEMBL16952967 | 0.76 | KDM1A (0.33) | — | |
| SCHEMBL16960284 | 0.76 | IDO1 (0.31) | — | |
| SCHEMBL16961783 | 0.76 | HTR2C (0.34) | — | |
| SCHEMBL16958910 | 0.76 | PDK2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |