⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20925193 | 0.73 | — | — | |
| SCHEMBL1954334 | 0.73 | — | — | |
| SCHEMBL26743 | 0.71 | — | — | |
| SCHEMBL12738645 | 0.71 | HRH3 (0.30) | — | |
| SCHEMBL6916666 | 0.71 | — | — | |
| SCHEMBL23160947 | 0.71 | BRD4 (0.36) | — | |
| SCHEMBL44424 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL26239 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL29650529 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL23160942 | 0.70 | ALDH1A1 (0.35) | — |
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-4050072-B1 | MANUFACTURING METHODS OF DECORATIVE SURFACES | AGFA NV (BE) | 2023-10-11 | — | — | EP | disclosed |
| US-20210147407-A1 | PHENYLACETAMIDES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-05-20 | — | — | US | disclosed |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |