⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14070116 | 1.00 | — | — | |
| SCHEMBL13975108 | 0.81 | — | — | |
| SCHEMBL620985 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL5186832 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL620986 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL620984 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL15766532 | 0.75 | — | — | |
| SCHEMBL5127737 | 0.73 | TRPV1 (0.48) | — | |
| SCHEMBL1660336 | 0.73 | — | — | |
| SCHEMBL1660339 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008110941-A2 | NEW PROCESS OF SYNTHESIS OF A SQUALAMINE AND/OR TRODUSQUEMINE PRECURSOR | UNIVERSITE DE LA MEDITERRANEE (FR) | 2008-09-18 | — | — | WO | disclosed |