⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6903505 | 1.00 | — | — | |
| SCHEMBL1016630 | 0.95 | — | — | |
| SCHEMBL711586 | 0.81 | — | — | |
| SCHEMBL18291165 | 0.81 | — | — | |
| SCHEMBL8960535 | 0.75 | — | — | |
| SCHEMBL1019510 | 0.75 | — | — | |
| SCHEMBL3532757 | 0.75 | OPRM1 (0.44) | — | |
| SCHEMBL19272856 | 0.75 | — | — | |
| SCHEMBL313412 | 0.75 | OPRM1 (0.44) | — | |
| SCHEMBL17097351 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040077728-A1 | Retiferol derivatives and their use in the treatment of skin diseases or conditions associated with photodamage | F. HOFFMANN-LA ROCHE AG (CH) | 2004-04-22 | — | — | US | disclosed |
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |