⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6289556 | 0.79 | — | — | |
| SCHEMBL813534 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL12443985 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL1714183 | 0.78 | — | — | |
| SCHEMBL1865258 | 0.77 | — | — | |
| SCHEMBL14051648 | 0.76 | — | — | |
| SCHEMBL20879978 | 0.75 | EPHX1 (0.37) | — | |
| SCHEMBL24109495 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL20257136 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL23140063 | 0.74 | SMN1; SMN2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4198034-A1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | Tuojie Biotech (Shanghai) Co., Ltd. (CN) | 2023-06-21 | — | — | EP | disclosed |
| EP-3147279-A1 | CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF | Fuji Chemical Industry Co., Ltd. (JP) | 2017-03-29 | — | — | EP | disclosed |
| WO-2015178404-A1 | CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF | 富士化学工業株式会社 | 2015-11-26 | — | — | WO | disclosed |