⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6417020 | 0.73 | — | — | |
| SCHEMBL7516335 | 0.67 | — | — | |
| SCHEMBL21628986 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL30483751 | 0.65 | — | — | |
| SCHEMBL27696518 | 0.59 | TSHR (0.38) | — | |
| SCHEMBL398065 | 0.57 | — | — | |
| SCHEMBL9366863 | 0.56 | CRBN (0.35) | — | |
| SCHEMBL12068002 | 0.55 | — | — | |
| Isobutane SCHEMBL908934 | 0.55 | CYP2D6 (0.35) | — | |
| Water SCHEMBL396872 | 0.55 | — | — |
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-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |