⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1046133 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL23637519 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL20032907 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL1046899 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL16834246 | 0.57 | ALDH1A1 (0.37) | — | |
| SCHEMBL5790127 | 0.57 | ALDH1A1 (0.37) | — | |
| SCHEMBL19206354 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL25246573 | 0.57 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL819402 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL1046898 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3087104-A1 | METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX | Compagnie Générale des Etablissements Michelin (FR) | 2016-11-02 | — | — | EP | claimed |
| WO-2015097191-A1 | METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2015-07-02 | — | — | WO | claimed |
| US-20150065660-A1 | METHODS FOR SEPARATING MIXTURES OF COMPOUNDS | NATIONAL SCIENCE FOUNDATION | 2015-03-05 | — | — | US | disclosed |