⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18537718 | 0.82 | — | — | |
| SCHEMBL2020040 | 0.68 | — | — | |
| SCHEMBL19082573 | 0.67 | — | — | |
| SCHEMBL20754413 | 0.63 | — | — | |
| SCHEMBL4642431 | 0.63 | — | — | |
| SCHEMBL13337111 | 0.63 | — | — | |
| SCHEMBL23260717 | 0.59 | — | — | |
| SCHEMBL17613532 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL13171273 | 0.59 | — | — | |
| Ethylenediamine SCHEMBL28163835 | 0.59 | TDP1 (0.39) | — |
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-20170190721-A1 | ALKOXYSILYL-VINYLENE GROUP-CONTAINING SILICON COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |