⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL211131 | 0.86 | — | — | |
| SCHEMBL209610 | 0.82 | — | — | |
| SCHEMBL375562 | 0.80 | THRB (0.32) | — | |
| SCHEMBL29211233 | 0.79 | THRB (0.31) | — | |
| SCHEMBL208922 | 0.79 | THRB (0.31) | — | |
| SCHEMBL65537 | 0.77 | — | — | |
| SCHEMBL4106515 | 0.75 | THRB (0.31) | — | |
| SCHEMBL208321 | 0.75 | — | — | |
| SCHEMBL15524147 | 0.73 | — | — | |
| SCHEMBL6034392 | 0.73 | THRB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040019144-A1 | Elastomeric composition useful for tire treads | ENICHEM ELASTOMERI S.R.L. (IT) | 2004-01-29 | — | — | US | disclosed |
| US-20030120007-A1 | ELASTOMERIC COMPOSITION USEFUL AS TIRE TREADS | BORTOLOTTI MICHELE (IT) | 2003-06-26 | — | — | US | disclosed |
| EP-0763564-A2 | elastomeric composition useful for tyre treads | ENICHEM ELASTOMERI S.r.l. (IT) | 1997-03-19 | — | — | EP | disclosed |