⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3339775 | 0.60 | DAO (0.41) | — | |
| SCHEMBL722291 | 0.54 | — | — | |
| SCHEMBL600393 | 0.46 | — | — | |
| SCHEMBL1900952 | 0.45 | — | — | |
| SCHEMBL14164523 | 0.43 | — | — | |
| SCHEMBL107641 | 0.43 | PTK2 (1.00) | — | |
| SCHEMBL8733759 | 0.42 | — | — | |
| SCHEMBL21819582 | 0.42 | NSD2 (0.43) | — | |
| SCHEMBL21818681 | 0.42 | THRB (0.37) | — | |
| SCHEMBL1323076 | 0.40 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780872-B2 | ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS | ABBOTT LABORATORIES | 2004-08-24 | — | — | US | disclosed |
| EP-1259510-B1 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LAB (US) | 2004-06-02 | — | — | EP | disclosed |
| US-20030171394-A1 | Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers | DRIZIN IRENE (US) | 2003-09-11 | — | — | US | disclosed |
| US-6538004-B2 | Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders | ABBOTT LABORATORIES | 2003-03-25 | — | — | US | disclosed |
| EP-1259510-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2002-11-27 | — | — | EP | disclosed |
| US-20020007059-A1 | Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers | ABBOTT LABORATORIES | 2002-01-17 | — | — | US | disclosed |
| WO-2001066544-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2001-09-13 | — | — | WO | disclosed |