⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10116483 | 0.72 | — | — | |
| SCHEMBL730483 | 0.69 | — | — | |
| SCHEMBL453425 | 0.65 | — | — | |
| SCHEMBL2545387 | 0.64 | — | — | |
| SCHEMBL3920103 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3302683 | 0.62 | TSHR (0.42) | — | |
| SCHEMBL11479438 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL4452432 | 0.62 | — | — | |
| SCHEMBL22360557 | 0.62 | — | — | |
| SCHEMBL12149824 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040156912-A1 | Surface functional member (member provided with surface layer of adsorbed functional particles) | FUJI PHOTO FILM CO., LTD. | 2004-08-12 | — | — | US | disclosed |