⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8235591 | 0.62 | — | — | |
| SCHEMBL21377622 | 0.56 | GABRR1 (0.31) | — | |
| SCHEMBL27472087 | 0.54 | AKR1B1 (0.32) | — | |
| SCHEMBL694984 | 0.54 | AKR1B1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10924546 | 0.53 | AKR1B1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2556838 | 0.53 | AKR1B1 (0.31) | — | |
| Hydrogen Peroxide SCHEMBL28986039 | 0.52 | — | — | |
| SCHEMBL8190882 | 0.51 | AKR1B1 (0.38) | — | |
| SCHEMBL9467648 | 0.50 | SLC6A12 (0.35) | — | |
| SCHEMBL68973 | 0.49 | HPGD (0.59) | — |
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-4464354-A | (3,4-c)-Pyrido psoralens, process of preparation, application in cosmetology and therapeutics, and cosmetological and pharmaceutical composition with them | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) | 1984-08-07 | — | — | US | disclosed |