⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14803486 | 1.00 | — | — | |
| SCHEMBL26740644 | 0.86 | — | — | |
| SCHEMBL17449626 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL5220960 | 0.78 | — | — | |
| SCHEMBL12863334 | 0.77 | — | — | |
| SCHEMBL21174455 | 0.77 | — | — | |
| SCHEMBL13864104 | 0.77 | — | — | |
| SCHEMBL12934393 | 0.77 | — | — | |
| SCHEMBL13864109 | 0.77 | — | — | |
| SCHEMBL16902072 | 0.77 | LPAR2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-120048294-A | Photopolymer holographic recording medium, preparation method and application thereof | 珠海莫界科技有限公司 | 2025-05-27 | — | — | CN | claimed |
| CN-120048294-A | Photopolymer holographic recording medium, preparation method and application thereof | 珠海莫界科技有限公司 | 2025-05-27 | — | — | CN | disclosed |
| US-20170233330-A1 | Process for the preparation of 3-[(1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl]-phenol | SANDOZ AG (CH) | 2017-08-17 | — | — | US | disclosed |