⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2499431 | 0.86 | — | — | |
| SCHEMBL191827 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL20357888 | 0.82 | — | — | |
| SCHEMBL9294946 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL2576168 | 0.82 | — | — | |
| SCHEMBL7183751 | 0.82 | — | — | |
| SCHEMBL18419994 | 0.80 | — | — | |
| SCHEMBL27923902 | 0.80 | — | — | |
| Guanidine SCHEMBL27596847 | 0.80 | — | — | |
| SCHEMBL24959 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6073071-A | — | — | None | — | — | JP | disclosed |
| EP-0767206-B1 | Rubber composition based on a diene polymer containing moieties from organosilane compounds for use in tire treads | MICHELIN & CIE (FR) | 2002-07-10 | — | — | EP | disclosed |
| US-5821290-A | RUBBER REINFORCED WITH CARBON BLACK OR SILICA FOR TIRES | Compagnie Generale des Etablissements Micheline--Michelin & Cie | 1998-10-13 | — | — | US | disclosed |
| EP-0767206-A1 | Rubber composition based on a diene polymer containing moieties from organosilane compounds for use in tire treads | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN-MICHELIN & CIE (FR) | 1997-04-09 | — | — | EP | disclosed |
| JP-H0673071-A | SILANE COMPOUND AND ITS PRODUCTION | TONEN CORP | 1994-03-15 | — | — | JP | disclosed |