⚠ 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 SCHEMBL29732678 | 0.84 | — | — | |
| Toluene SCHEMBL6149980 | 0.76 | — | — | |
| Toluene SCHEMBL5374477 | 0.74 | — | — | |
| Toluene SCHEMBL112707 | 0.71 | — | — | |
| M-Xylene SCHEMBL17836908 | 0.69 | — | — | |
| Toluene SCHEMBL30241027 | 0.69 | — | — | |
| Toluene SCHEMBL30678830 | 0.69 | — | — | |
| Aniline SCHEMBL19359123 | 0.67 | — | — | |
| P-Xylene SCHEMBL2137209 | 0.66 | — | — | |
| Toluene SCHEMBL29477065 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383752-A2 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | Turicum Drug Development AG (CH) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002088100-A2 | DEUTERATED 3-PIPERIDINOPROPIOPHENONE AND MEDICAMENTS CONTAINING SAID COMPOUNDS | TURICUM DRUG DEVELOPMENT AG (CH) | 2002-11-07 | — | — | WO | disclosed |