⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4668222 | 0.78 | — | — | |
| SCHEMBL626590 | 0.78 | — | — | |
| SCHEMBL16341324 | 0.73 | — | — | |
| SCHEMBL437448 | 0.67 | — | — | |
| SCHEMBL1475071 | 0.67 | — | — | |
| SCHEMBL446571 | 0.67 | — | — | |
| SCHEMBL2071096 | 0.67 | — | — | |
| SCHEMBL9807007 | 0.67 | — | — | |
| SCHEMBL1904241 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.65 | ALDH1A1 (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3956293-A1 | PROCESS FOR PREPARING CYANOACETATES | Henkel IP & Holding GmbH (DE) | 2022-02-23 | — | — | EP | disclosed |
| EP-3956298-A1 | PROCESS FOR PREPARING CYANOACETATES | Henkel IP & Holding GmbH (DE) | 2022-02-23 | — | — | EP | disclosed |
| CN-106423806-B | Method for producing coatings | 斯凯孚公司 | 2021-05-28 | — | — | CN | disclosed |
| WO-2020212583-A1 | PROCESS FOR PREPARING CYANOACETATES | Henkel IP & Holding GmbH (DE) | 2020-10-22 | — | — | WO | disclosed |
| WO-2020212585-A1 | PROCESS FOR PREPARING CYANOACETATES | Henkel IP & Holding GmbH (DE) | 2020-10-22 | — | — | WO | disclosed |
| US-6232261-B1 | REACTION PRODUCT OF AN ALUMINOXANE OR PRODUCT OF AN ALKYLALUMINUM AND WATER WITH A SILICON-CONTAINING COMPOUND, FOR EXAMPLE DIPHENYLSILANE DIOL; OLEFIN POLYMERIZATION CATALYST, ESPECIALLY A METALLOCENE COMPLEX | BP CHEMICALS LIMITED (GB) | 2001-05-15 | — | — | US | disclosed |
| EP-0952991-A1 | CATALYST ACTIVATORS | BP Chemicals Limited (GB) | 1999-11-03 | — | — | EP | disclosed |
| WO-1998031715-A1 | CATALYST ACTIVATORS | BP CHEMICALS LIMITED (GB) | 1998-07-23 | — | — | WO | disclosed |