⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27336385 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6368777 | 0.70 | — | — | |
| SCHEMBL11662882 | 0.67 | — | — | |
| SCHEMBL30754221 | 0.67 | — | — | |
| Nitrous Acid SCHEMBL27325558 | 0.67 | — | — | |
| SCHEMBL28034490 | 0.64 | USP2 (0.34) | — | |
| SCHEMBL27571019 | 0.64 | P2RX4 (0.37) | — | |
| SCHEMBL27815976 | 0.63 | — | — | |
| SCHEMBL18614624 | 0.62 | — | — | |
| SCHEMBL28852807 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212056-B1 | METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES | US GOV HEALTH & HUMAN SERV (US) | 2005-12-07 | — | — | EP | disclosed |