⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8968162 | 0.74 | — | — | |
| SCHEMBL2941865 | 0.72 | — | — | |
| SCHEMBL8502748 | 0.70 | — | — | |
| SCHEMBL8589470 | 0.69 | — | — | |
| SCHEMBL10412000 | 0.68 | — | — | |
| SCHEMBL7055437 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL7053866 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL7976823 | 0.66 | CYP2C19 (0.33) | — | |
| SCHEMBL181358 | 0.66 | CYP4F2 (0.30) | — | |
| SCHEMBL6257265 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0341623-A2 | Resin composition | MITSUBISHI KASEI CORPORATION (JP) | 1989-11-15 | — | — | EP | disclosed |
| US-4282209-A | EMBEDDING IN POLYMER | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-08-04 | — | — | US | disclosed |