⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28053170 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL10644539 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL28328523 | 0.79 | — | — | |
| Methane SCHEMBL28053176 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL11690628 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL10882995 | 0.74 | — | — | |
| Cyclopentane SCHEMBL29058176 | 0.74 | ALDH1A1 (0.32) | — | |
| Propene SCHEMBL9016200 | 0.70 | — | — | |
| SCHEMBL28091675 | 0.70 | — | — | |
| SCHEMBL4297925 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0114399-A1 | Process for preparing silyl carbamates | UNION CARBIDE CORPORATION (US) | 1984-08-01 | — | — | EP | disclosed |