⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21235747 | 0.79 | — | — | |
| SCHEMBL2145103 | 0.67 | — | — | |
| SCHEMBL21648093 | 0.65 | — | — | |
| SCHEMBL9938685 | 0.60 | — | — | |
| SCHEMBL21648187 | 0.59 | ACHE (0.40) | — | |
| SCHEMBL3624714 | 0.56 | ALDH1A1 (0.50) | — | |
| P-Xyloquinone SCHEMBL49964 | 0.56 | PLK1 (0.60) | — | |
| SCHEMBL7073987 | 0.56 | — | — | |
| SCHEMBL1292065 | 0.54 | — | — | |
| SCHEMBL10073565 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707023-A1 | Method for the preparation of a heterocyclic polymer | DSM N.V. (NL) | 1996-04-17 | — | — | EP | claimed |
| US-20200031796-A1 | COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION | L'OREAL (FR) | 2020-01-30 | — | — | US | disclosed |
| EP-0707023-A1 | Method for the preparation of a heterocyclic polymer | DSM N.V. (NL) | 1996-04-17 | — | — | EP | disclosed |