⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18241827 | 0.81 | — | — | |
| SCHEMBL343092 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL29249282 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL6660616 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL4272106 | 0.74 | EPHX1 (0.35) | — | |
| SCHEMBL29249230 | 0.74 | EPHX1 (0.35) | — | |
| SCHEMBL16197516 | 0.74 | — | — | |
| SCHEMBL128731 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL28443203 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL342542 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3157970-A1 | SILYLATED POLYURETHANES | Huntsman International LLC (US) | 2017-04-26 | — | — | EP | claimed |
| WO-2015193146-A1 | SILYLATED POLYURETHANES | HUNTSMAN INTERNATIONAL LLC (US) | 2015-12-23 | — | — | WO | claimed |
| EP-3157970-A1 | SILYLATED POLYURETHANES | Huntsman International LLC (US) | 2017-04-26 | — | — | EP | disclosed |
| EP-2989155-A1 | COMPOSITION COMPRISING SILYLATED POLYMERS | Huntsman International LLC (US) | 2016-03-02 | — | — | EP | disclosed |
| WO-2015193146-A1 | SILYLATED POLYURETHANES | HUNTSMAN INTERNATIONAL LLC (US) | 2015-12-23 | — | — | WO | disclosed |
| WO-2014173638-A1 | COMPOSITION COMPRISING SILYLATED POLYMERS | HUNTSMAN INTERNATIONAL LLC (US) | 2014-10-30 | — | — | WO | disclosed |