⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4594015 | 0.97 | MAPT (0.43) | — | |
| SCHEMBL19305204 | 0.77 | NPC1 (0.33) | — | |
| SCHEMBL16862855 | 0.77 | NPC1 (0.33) | — | |
| SCHEMBL6959956 | 0.77 | — | — | |
| SCHEMBL9517370 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL9517373 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL8540596 | 0.75 | MAPT (0.50) | — | |
| SCHEMBL9517366 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL6240262 | 0.71 | — | — | |
| SCHEMBL95991 | 0.71 | — | — |
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-3087105-A1 | METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF SYNTHETIC RUBBER IN A SOLUTION | Compagnie Générale des Etablissements Michelin (FR) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015097192-A1 | METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF SYNTHETIC RUBBER IN A SOLUTION | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2015-07-02 | — | — | WO | disclosed |
| WO-2010003658-A1 | MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2010-01-14 | — | — | WO | disclosed |