⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL746990 | 0.81 | — | — | |
| SCHEMBL19264995 | 0.74 | — | — | |
| SCHEMBL18854872 | 0.71 | — | — | |
| SCHEMBL20060111 | 0.71 | — | — | |
| SCHEMBL8760979 | 0.69 | — | — | |
| SCHEMBL28208145 | 0.69 | — | — | |
| SCHEMBL4096961 | 0.66 | — | — | |
| SCHEMBL30460469 | 0.65 | — | — | |
| SCHEMBL27470931 | 0.64 | — | — | |
| SCHEMBL10884198 | 0.64 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117447385-B | Preparation and application of deuterated 3-aminomethyl-4-phenylpiperidin-4-ol compound | 南昌双天使生物科技开发有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117447385-A | Preparation and application of deuterated 3-aminomethyl-4-phenylpiperidin-4-ol compound | 南昌双天使生物科技开发有限公司 | 2024-01-26 | — | — | CN | disclosed |