⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29399686 | 0.96 | — | — | |
| SCHEMBL2487739 | 0.96 | — | — | |
| SCHEMBL4635 | 0.96 | — | — | |
| SCHEMBL907968 | 0.96 | TSHR (0.44) | — | |
| Isobutane SCHEMBL2022228 | 0.92 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL8586868 | 0.92 | — | — | |
| Hydrogen Sulfide SCHEMBL5675257 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL3288253 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL374068 | 0.92 | — | — | |
| Water SCHEMBL3346079 | 0.92 | TSHR (0.42) | — |
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 |