⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27522020 | 0.89 | — | — | |
| SCHEMBL10082259 | 0.79 | — | — | |
| SCHEMBL27513169 | 0.77 | SHBG (0.33) | — | |
| SCHEMBL22758560 | 0.75 | CYP2D6 (0.37) | — | |
| SCHEMBL23103575 | 0.71 | CHRM2 (0.35) | — | |
| SCHEMBL24181925 | 0.70 | — | — | |
| SCHEMBL9360077 | 0.70 | CYP19A1 (0.34) | — | |
| SCHEMBL22758460 | 0.70 | — | — | |
| SCHEMBL12166565 | 0.70 | SHBG (0.45) | — | |
| SCHEMBL10862505 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6046350-A | Tertiary alkylsilane | NIPPON OIL CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0922706-A2 | Tertiary alkylsilane | NIPPON OIL CO. LTD. (JP) | 1999-06-16 | — | — | EP | disclosed |