⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11911684 | 0.74 | — | — | |
| SCHEMBL10002060 | 0.74 | — | — | |
| SCHEMBL22589981 | 0.74 | — | — | |
| SCHEMBL11911688 | 0.74 | — | — | |
| SCHEMBL1704313 | 0.73 | — | — | |
| SCHEMBL13326909 | 0.73 | — | — | |
| SCHEMBL13326910 | 0.73 | — | — | |
| Isopropyl Alcohol SCHEMBL2441841 | 0.71 | ALDH1A1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL15994114 | 0.71 | — | — | |
| SCHEMBL10635390 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2011001275-A | PHOSPHAZENE RING-HAVING UNSATURATED CARBOXYLATE COMPOUND | FUSHIMI PHARM CO LTD | 2011-01-06 | — | — | JP | disclosed |