⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26953 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL14675991 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL22157999 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9634079 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL5511391 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL301767 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL3175920 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9633702 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL301131 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL3184929 | 0.82 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114270556-B | Organic photoelectric conversion material | 住友化学株式会社 | 2024-03-29 | — | — | CN | disclosed |
| CN-114270556-A | Organic photoelectric conversion material | 住友化学株式会社 | 2022-04-01 | — | — | CN | disclosed |
| CN-108368142-B | Method for producing aromatic compound and palladium complex | 住友化学株式会社 | 2021-02-19 | — | — | CN | disclosed |
| CN-108368142-A | Method for producing aromatic compound and palladium complex | 住友化学株式会社 | 2018-08-03 | — | — | CN | disclosed |