⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7938429 | 0.73 | — | — | |
| SCHEMBL28323404 | 0.72 | — | — | |
| SCHEMBL4652198 | 0.69 | — | — | |
| SCHEMBL7195260 | 0.69 | — | — | |
| SCHEMBL649223 | 0.68 | SPHK1 (0.41) | — | |
| SCHEMBL28256455 | 0.68 | TDP1 (0.35) | — | |
| SCHEMBL1955612 | 0.67 | CYP19A1 (0.36) | — | |
| SCHEMBL4794098 | 0.66 | — | — | |
| SCHEMBL3747538 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL15254050 | 0.65 | CYP19A1 (0.30) | — |
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-110325360-A | Laminated body | 三井化学株式会社 | 2019-10-11 | — | — | CN | disclosed |
| CN-110312618-A | Laminated body | 三井化学株式会社 | 2019-10-08 | — | — | CN | disclosed |