⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12361594 | 0.77 | TDP1 (0.40) | — | |
| SCHEMBL9060873 | 0.76 | — | — | |
| SCHEMBL56534 | 0.69 | — | — | |
| SCHEMBL380860 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL56266 | 0.69 | — | — | |
| SCHEMBL9712912 | 0.69 | — | — | |
| SCHEMBL10818304 | 0.67 | TDP1 (0.31) | — | |
| SCHEMBL1046256 | 0.67 | — | — | |
| SCHEMBL8607588 | 0.67 | — | — | |
| SCHEMBL8724962 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001030769-A2 | PROCESS FOR ALKYLATION OF BENZODIAZEPINDIONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2001-05-03 | — | — | WO | disclosed |