⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6628288 | 0.90 | CYP1A2 (0.46) | — | |
| SCHEMBL14434683 | 0.90 | — | — | |
| SCHEMBL13673452 | 0.84 | HRH3 (0.39) | — | |
| SCHEMBL1679388 | 0.74 | — | — | |
| SCHEMBL3940022 | 0.72 | — | — | |
| SCHEMBL542400 | 0.72 | — | — | |
| SCHEMBL4578412 | 0.72 | — | — | |
| SCHEMBL5179125 | 0.71 | — | — | |
| SCHEMBL29012367 | 0.70 | CYP1A2 (0.42) | — | |
| SCHEMBL1678427 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101208334-B | Novel cyclic amines | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| CN-101208334-A | Novel cyclic amines | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | CN | disclosed |