⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9206889 | 0.97 | — | — | |
| SCHEMBL10868305 | 0.97 | — | — | |
| SCHEMBL21496379 | 0.97 | — | — | |
| SCHEMBL3412633 | 0.94 | — | — | |
| SCHEMBL24701064 | 0.83 | — | — | |
| SCHEMBL22295058 | 0.76 | — | — | |
| SCHEMBL20664162 | 0.76 | MPO (0.30) | — | |
| SCHEMBL9738577 | 0.74 | — | — | |
| SCHEMBL19898868 | 0.74 | — | — | |
| SCHEMBL19148084 | 0.74 | OPRM1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5403959-A | Reacting tricyclo (5.2.102.6)decan-8(9)-one with dialkylamine in presence of hydrogen and platinum-containing supported catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | claimed |
| US-5403959-A | Reacting tricyclo (5.2.102.6)decan-8(9)-one with dialkylamine in presence of hydrogen and platinum-containing supported catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |
| US-3983173-A | ANTIBIOTIC | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-09-28 | — | — | US | disclosed |