⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28868084 | 0.85 | ESR1 (0.30) | — | |
| SCHEMBL22389544 | 0.79 | — | — | |
| SCHEMBL11597939 | 0.78 | — | — | |
| SCHEMBL22389560 | 0.78 | — | — | |
| SCHEMBL28868074 | 0.76 | — | — | |
| SCHEMBL28959479 | 0.76 | ESR2 (0.32) | — | |
| SCHEMBL9680063 | 0.72 | — | — | |
| SCHEMBL22389524 | 0.71 | — | — | |
| SCHEMBL18185550 | 0.71 | — | — | |
| SCHEMBL10609103 | 0.70 | — | — |
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-115215874-B | Tetra-aryl porphyrin compound containing enoate and application thereof | 江苏海伦隐形眼镜有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-115215874-A | Tetra-aryl porphyrin compound containing olefine acid ester and application thereof | 江苏海伦隐形眼镜有限公司 | 2022-10-21 | — | — | CN | disclosed |