⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1237366 | 0.84 | CHRM1 (0.35) | — | |
| SCHEMBL3742168 | 0.82 | — | — | |
| SCHEMBL7123397 | 0.80 | GPR84 (0.39) | — | |
| SCHEMBL8155974 | 0.79 | — | — | |
| SCHEMBL3734281 | 0.78 | — | — | |
| SCHEMBL29241030 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL8155471 | 0.73 | — | — | |
| SCHEMBL5010841 | 0.72 | — | — | |
| SCHEMBL454677 | 0.70 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL6700004 | 0.69 | TSHR (0.32) | — |
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-1833905-B1 | ELASTOMER COMPOSITION WHICH IS REINFORCED WITH A FUNCTIONALISED POLYVINYLAROMATIC FILLER | MICHELIN & CIE (FR) | 2013-08-07 | — | — | EP | claimed |
| EP-1838765-B1 | FUNCTIOANALISED POLYVINYLAROMATIC NANOPARTICLES | MICHELIN RECH TECH (CH) | 2010-08-04 | — | — | EP | claimed |
| CN-104845007-A | Stimulus-responsive gel material | SEIKO EPSON CORP | 2015-08-19 | — | — | CN | disclosed |