⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5780327 | 0.84 | — | — | |
| SCHEMBL28622139 | 0.81 | — | — | |
| SCHEMBL19321595 | 0.80 | — | — | |
| SCHEMBL17748598 | 0.79 | — | — | |
| SCHEMBL9722107 | 0.78 | POLA1 (0.33) | — | |
| SCHEMBL722045 | 0.78 | — | — | |
| SCHEMBL27696597 | 0.70 | — | — | |
| SCHEMBL4180250 | 0.68 | — | — | |
| SCHEMBL3517582 | 0.68 | — | — | |
| SCHEMBL10447406 | 0.68 | — | — |
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-108546592-B | Mixed spice of dark plum and raspberry, preparation method of mixed spice and application of mixed spice in cigarettes | 河南中烟工业有限责任公司 | 2022-02-25 | — | — | CN | disclosed |
| EP-0386639-A1 | Process for preparing para-hydroxybenzyl alcohol | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1990-09-12 | — | — | EP | disclosed |