⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16954448 | 0.86 | DRD1 (0.31) | — | |
| SCHEMBL16962490 | 0.81 | MAPT (0.42) | — | |
| SCHEMBL16951818 | 0.81 | ACACB (0.32) | — | |
| SCHEMBL12134589 | 0.81 | KCNH2 (0.40) | — | |
| SCHEMBL16960385 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL16950695 | 0.80 | MAPT (0.36) | — | |
| SCHEMBL16952808 | 0.79 | EPAS1 (0.31) | — | |
| SCHEMBL16954784 | 0.79 | ACACB (0.30) | — | |
| SCHEMBL16953550 | 0.78 | KCNH2 (0.34) | — | |
| SCHEMBL16953739 | 0.78 | — | — |
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 |