⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7516996 | 0.78 | TP53 (0.50) | — | |
| SCHEMBL2100395 | 0.72 | — | — | |
| SCHEMBL7528143 | 0.72 | TP53 (0.44) | — | |
| SCHEMBL7525524 | 0.72 | TP53 (0.44) | — | |
| SCHEMBL1072967 | 0.72 | — | — | |
| SCHEMBL1719880 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL28624359 | 0.71 | — | — | |
| SCHEMBL970730 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL6751593 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL9108099 | 0.69 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110009547-A1 | RUBBER COMPOSITION FOR A TYRE COMPRISING A HYDROXYSILANE COVERING AGENT | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2011-01-13 | — | — | US | disclosed |
| EP-0350600-B1 | Process for the preparation of pure 3-butenyltriorganyloxysilanes | DEGUSSA (DE) | 1995-07-12 | — | — | EP | disclosed |
| US-5164501-A | Vulcanization of silica filled rubbers | DEGUSSA AG (DE) | 1992-11-17 | — | — | US | disclosed |
| US-5073644-A | Reinforced rubber additive | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 1991-12-17 | — | — | US | disclosed |
| EP-0350600-A2 | Process for the preparation of pure 3-butenyltriorganyloxysilanes | Degussa Aktiengesellschaft (DE) | 1990-01-17 | — | — | EP | disclosed |