⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6901511 | 0.76 | CYP2C19 (0.48) | — | |
| SCHEMBL22318546 | 0.60 | CYP2C19 (0.43) | — | |
| SCHEMBL2893263 | 0.60 | CYP2C19 (0.71) | — | |
| SCHEMBL30612397 | 0.60 | CYP2C19 (0.71) | — | |
| SCHEMBL1543426 | 0.60 | CYP2C19 (0.71) | — | |
| SCHEMBL20003355 | 0.59 | CYP2C19 (0.48) | — | |
| SCHEMBL20733072 | 0.59 | CYP2C19 (0.48) | — | |
| SCHEMBL18551185 | 0.59 | CYP2C19 (0.48) | — | |
| SCHEMBL20003356 | 0.59 | CYP2C19 (0.48) | — | |
| SCHEMBL9300332 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8027159-A | — | — | None | — | — | JP | disclosed |
| JP-H0827159-A | COMPOUND CONTAINING SILICON AND NITROGEN, ITS PRODUCTION AND ANTITUMOR AGENT COMPRISING THE SAME COMPOUND AS MAIN AGENT | RES DEV CORP OF JAPAN | 1996-01-30 | — | — | JP | disclosed |