⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18645506 | 0.70 | SETD7 (0.33) | — | |
| SCHEMBL10642347 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL17284106 | 0.67 | SETD7 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11111767 | 0.66 | MEN1 (0.34) | — | |
| SCHEMBL11562737 | 0.66 | ABCB11 (0.31) | — | |
| SCHEMBL5626323 | 0.66 | CFTR (0.33) | — | |
| SCHEMBL11924610 | 0.66 | ABCB11 (0.31) | — | |
| SCHEMBL14520555 | 0.65 | SETD7 (0.39) | — | |
| SCHEMBL10839999 | 0.64 | ABCB11 (0.30) | — | |
| SCHEMBL18814781 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000020005-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE | EGIS Gyógyszergyár Rt. (HU) | 2000-04-13 | — | — | WO | claimed |
| EP-0204731-A1 | 4-SUBSTITUTED-PYRIMIDO AD6,1-a BD ISOQUINOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1986-12-17 | — | — | EP | claimed |
| WO-1986002928-A1 | 4-SUBSTITUTED-PYRIMIDO AD6,1-a BD ISOQUINOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1986-05-22 | — | — | WO | claimed |
| JP-2188517-A | — | — | None | — | — | JP | disclosed |
| CN-119954804-B | Pyrimido [6,1-a ] isoquinolin-4-one derivatives and uses thereof | 广州呼吸药物工程技术有限公司 | 2025-08-12 | — | — | CN | disclosed |
| CN-119954804-A | Pyrimido [6,1-a ] isoquinolin-4-one derivatives and uses thereof | 广州呼吸药物工程技术有限公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-119954804-A | Pyrimido [6,1-a ] isoquinolin-4-one derivatives and uses thereof | 广州呼吸药物工程技术有限公司 | 2025-05-09 | — | — | CN | disclosed |
| WO-2000020005-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE | EGIS Gyógyszergyár Rt. (HU) | 2000-04-13 | — | — | WO | disclosed |
| JP-H02188517-A | PHARMACEUTICAL COMPOSITION COMPRISING LABDANE DITERPENOID DERIVATIVE AND PYRIMIDO(61-A)ISOQUINOLIN-4-ONE DERIVATIVE | HOECHST AG | 1990-07-24 | — | — | JP | disclosed |