⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL663343 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL6423951 | 0.67 | HTR2C (0.32) | — | |
| SCHEMBL6237477 | 0.66 | PLD1 (0.47) | — | |
| SCHEMBL3365138 | 0.65 | HTR2C (0.47) | — | |
| SCHEMBL28801551 | 0.64 | — | — | |
| SCHEMBL1012951 | 0.64 | HTR2C (0.54) | — | |
| SCHEMBL4025127 | 0.63 | PIK3CA (0.40) | — | |
| SCHEMBL5313919 | 0.61 | CHKA (0.37) | — | |
| SCHEMBL1169416 | 0.59 | MAPK1 (0.38) | — | |
| SCHEMBL22645263 | 0.58 | ALDH1A1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1560811-B9 | PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LAB (US) | 2008-03-05 | — | — | EP | disclosed |
| EP-1560811-B1 | PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LAB (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1259510-B1 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LAB (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1259510-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001066544-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2001-09-13 | — | — | WO | disclosed |