⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16823392 | 0.64 | — | — | |
| SCHEMBL5568740 | 0.61 | — | — | |
| SCHEMBL22193419 | 0.60 | HTR2C (0.34) | — | |
| SCHEMBL108473 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL2797657 | 0.58 | — | — | |
| SCHEMBL4077331 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL6632484 | 0.55 | HTR6 (0.62) | — | |
| SCHEMBL8694678 | 0.54 | HTR6 (0.39) | — | |
| SCHEMBL1591982 | 0.54 | HTR6 (0.39) | — | |
| SCHEMBL4247654 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2536706-A1 | ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | Celgene Corporation (US) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011100380-A1 | ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |
| 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 |