⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4774052 | 0.63 | KDM1A (0.32) | — | |
| SCHEMBL8856058 | 0.60 | NOS1 (0.42) | — | |
| SCHEMBL455256 | 0.60 | — | — | |
| SCHEMBL1587906 | 0.57 | — | — | |
| SCHEMBL8856057 | 0.56 | MAPK1 (0.30) | — | |
| SCHEMBL5210515 | 0.55 | — | — | |
| SCHEMBL1617399 | 0.51 | — | — | |
| SCHEMBL486038 | 0.50 | KDM1A (0.37) | — | |
| SCHEMBL15304642 | 0.50 | TLR4 (0.31) | — | |
| SCHEMBL2504298 | 0.49 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143677-A1 | COMPOUND, RUBBER BLEND CONTAINING THE COMPOUND, VEHICLE TIRE COMPRISING THE RUBBER BLEND IN AT LEAST ONE COMPONENT, PROCESS FOR PREPARING THE COMPOUND, AND USE OF THE COMPOUND AS AN ANTI-AGING AGENT AND/OR ANTIOXIDANT | CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) | 2023-08-03 | — | — | WO | disclosed |