⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8021716 | 1.00 | — | — | |
| SCHEMBL8021711 | 1.00 | — | — | |
| SCHEMBL8021707 | 1.00 | — | — | |
| SCHEMBL8022434 | 0.89 | CTSK (0.33) | — | |
| SCHEMBL9008550 | 0.89 | CTSK (0.33) | — | |
| SCHEMBL8022432 | 0.89 | CTSK (0.33) | — | |
| SCHEMBL8022431 | 0.89 | CTSK (0.33) | — | |
| SCHEMBL8019198 | 0.88 | CYP2C9 (0.33) | — | |
| SCHEMBL8019201 | 0.88 | CYP2C9 (0.33) | — | |
| SCHEMBL9008498 | 0.88 | CYP2C9 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5582764-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-12-10 | — | — | US | disclosed |