⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL112707 | 0.85 | — | — | |
| Toluene SCHEMBL31050196 | 0.82 | — | — | |
| Toluene SCHEMBL29732678 | 0.81 | — | — | |
| Toluene SCHEMBL6570552 | 0.76 | — | — | |
| Toluene SCHEMBL1172029 | 0.73 | — | — | |
| Toluene SCHEMBL29362237 | 0.73 | — | — | |
| M-Xylene SCHEMBL17836908 | 0.71 | — | — | |
| P-Xylene SCHEMBL2137209 | 0.68 | — | — | |
| O-Xylene SCHEMBL3470526 | 0.63 | — | — | |
| SCHEMBL17731973 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1383752-B1 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | TURICUM DRUG DEV AG (CH) | 2005-06-22 | — | — | EP | disclosed |