⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4003894 | 0.77 | APLNR (0.38) | — | |
| Bicarbonate SCHEMBL10606286 | 0.77 | APLNR (0.38) | — | |
| SCHEMBL9507172 | 0.74 | APLNR (0.36) | — | |
| SCHEMBL11170359 | 0.74 | — | — | |
| SCHEMBL3685976 | 0.72 | — | — | |
| Cyclopentane SCHEMBL10864965 | 0.72 | APLNR (0.35) | — | |
| SCHEMBL9018582 | 0.72 | — | — | |
| Bicarbonate SCHEMBL9484911 | 0.72 | APLNR (0.35) | — | |
| SCHEMBL6025947 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL21187568 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9193719-B2 | 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities | DECIPHERA PHARMACEUTICALS, LLC (US) | 2015-11-24 | — | — | US | disclosed |
| US-20140296252-A1 | 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2014-10-02 | — | — | US | disclosed |
| WO-2014145023-A1 | 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2014-09-18 | — | — | WO | disclosed |
| US-5665765-A | TREATMENT OF PARKINSON'S DISEASE, MEMORY DISORDERS, DISORDERS ASSOCIATED WITH DRUG ABUSE, DEPRESSION, AND PSYCHOTIC STATES | ADIR ET COMPAGNIE (FR) | 1997-09-09 | — | — | US | disclosed |