⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9640 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5739091 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL11668503 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3021324 | 0.93 | — | — | |
| SCHEMBL10437648 | 0.88 | ALDH1A1 (0.46) | — | |
| Acetic Acid SCHEMBL31295652 | 0.88 | ALDH1A1 (0.46) | — | |
| SCHEMBL8064056 | 0.81 | ALDH1A1 (0.41) | — | |
| Pivalamide SCHEMBL1925697 | 0.79 | ALDH1A1 (0.39) | — | |
| Acrylic Acid SCHEMBL28826147 | 0.79 | LMNA (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL19137877 | 0.79 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5284975-A | Method of preparing α-d-phenylalkylbenzyl carbinol | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1994-02-08 | — | — | US | claimed |
| US-5284975-A | Method of preparing α-d-phenylalkylbenzyl carbinol | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1994-02-08 | — | — | US | disclosed |