⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1191256 | 0.83 | ALDH1A1 (0.63) | — | |
| SCHEMBL1428429 | 0.79 | — | — | |
| SCHEMBL5948495 | 0.78 | ALDH1A1 (0.74) | — | |
| SCHEMBL131476 | 0.78 | ALDH1A1 (0.74) | — | |
| SCHEMBL425264 | 0.75 | — | — | |
| SCHEMBL139743 | 0.75 | — | — | |
| SCHEMBL425263 | 0.75 | — | — | |
| SCHEMBL3189950 | 0.75 | ALDH1A1 (0.70) | — | |
| SCHEMBL2785008 | 0.73 | — | — | |
| SCHEMBL14521387 | 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 |
|---|---|---|---|---|---|---|---|
| US-5284975-A | Method of preparing α-d-phenylalkylbenzyl carbinol | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1994-02-08 | — | — | US | claimed |