⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9842450 | 0.82 | — | — | |
| SCHEMBL10596015 | 0.72 | — | — | |
| SCHEMBL9245747 | 0.71 | MAPT (0.35) | — | |
| SCHEMBL7046712 | 0.71 | GAA (0.35) | — | |
| SCHEMBL9242265 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL9482966 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL10456126 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL6204071 | 0.66 | — | — | |
| SCHEMBL1081511 | 0.64 | FABP7 (0.56) | — | |
| SCHEMBL26834 | 0.63 | SERPINE1 (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-0434613-B1 | Synergistic agent and method of regulating plant growth | CIBA GEIGY AG (CH) | 1995-05-03 | — | — | EP | disclosed |
| EP-0434613-A2 | Synergistic agent and method of regulating plant growth | CIBA-GEIGY AG (CH) | 1991-06-26 | — | — | EP | disclosed |