⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175732 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL1773428 | 0.95 | — | — | |
| SCHEMBL757716 | 0.95 | — | — | |
| SCHEMBL27327 | 0.95 | — | — | |
| Ethylenediamine SCHEMBL8975294 | 0.92 | ALDH1A1 (0.77) | — | |
| SCHEMBL7936337 | 0.91 | — | — | |
| Water SCHEMBL5799352 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL9250838 | 0.91 | ALDH1A1 (0.91) | — | |
| Hydrochloric Acid SCHEMBL2260838 | 0.91 | — | — | |
| SCHEMBL9324790 | 0.91 | ALDH1A1 (0.91) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232679-B | Polyamic acid composition and polyimide compositions | 杰富意化学株式会社 | 2019-06-04 | — | — | CN | disclosed |
| CN-104619777-B | Polyamide | 株式会社可乐丽 | 2018-05-29 | — | — | CN | disclosed |
| CN-104662095-B | Amilan polyamide resin composition | 株式会社可乐丽 | 2017-10-24 | — | — | CN | disclosed |
| US-5138015-A | Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0477376-A1 | PROCESS FOR PRODUCING POLYURETHANE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-01 | — | — | EP | disclosed |