⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5369607 | 0.89 | — | — | |
| Ethylamine SCHEMBL28061240 | 0.81 | DNM1 (0.30) | — | |
| Propane SCHEMBL27533742 | 0.81 | — | — | |
| Butane SCHEMBL3984103 | 0.81 | — | — | |
| SCHEMBL27992427 | 0.80 | TSHR (0.42) | — | |
| Propylamine SCHEMBL3969891 | 0.79 | DNM1 (0.35) | — | |
| Ethylenediamine SCHEMBL9857117 | 0.76 | DNM1 (0.33) | — | |
| Propylamine SCHEMBL28311052 | 0.76 | DNM1 (0.38) | — | |
| Propylamine SCHEMBL20678533 | 0.76 | DNM1 (0.33) | — | |
| SCHEMBL12111336 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108948738-A | The modified nylon 66 material and preparation method thereof of automobile water chamber hydrolysis-resistant alcoholysis-resistant | 宁波伊德尔新材料有限公司 | 2018-12-07 | — | — | CN | disclosed |