⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20022627 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL20799402 | 0.80 | — | — | |
| SCHEMBL444662 | 0.75 | — | — | |
| SCHEMBL15944806 | 0.73 | — | — | |
| SCHEMBL21943169 | 0.73 | — | — | |
| SCHEMBL24662918 | 0.73 | — | — | |
| SCHEMBL18674537 | 0.73 | — | — | |
| SCHEMBL637506 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9744863 | 0.70 | — | — | |
| SCHEMBL21180107 | 0.70 | ALDH1A1 (0.31) | — |
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-4871713-A | Heat-sensitive recording material | FUJI PHOTO FILM CO., LTD. (JP) | 1989-10-03 | — | — | US | disclosed |