⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16082062 | 0.91 | ADORA2A (0.38) | — | |
| SCHEMBL22077239 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL16661295 | 0.67 | CSNK1A1 (0.33) | — | |
| SCHEMBL2973055 | 0.63 | — | — | |
| SCHEMBL18482643 | 0.63 | ADORA2A (0.44) | — | |
| SCHEMBL18482642 | 0.63 | ADORA2A (0.44) | — | |
| SCHEMBL21802311 | 0.60 | PDE10A (0.38) | — | |
| SCHEMBL5795266 | 0.59 | — | — | |
| SCHEMBL18912009 | 0.59 | — | — | |
| SCHEMBL9532882 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4739393-A1 | TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS | Merck Sharp & Dohme LLC (US) | 2026-05-13 | — | — | EP | disclosed |
| US-20250026759-A1 | TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS | MERCK SHARP & DOHME LLC (US) | 2025-01-23 | — | — | US | disclosed |
| WO-2025014788-A1 | TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS | MERCK SHARP & DOHME LLC (US) | 2025-01-16 | — | — | WO | disclosed |
| 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 |