⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10378130 | 0.85 | — | — | |
| SCHEMBL7322369 | 0.81 | — | — | |
| SCHEMBL7317998 | 0.78 | — | — | |
| SCHEMBL4349103 | 0.77 | — | — | |
| SCHEMBL28876296 | 0.77 | HPGD (0.43) | — | |
| SCHEMBL1701326 | 0.75 | HPGD (0.46) | — | |
| SCHEMBL11015038 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL515069 | 0.72 | — | — | |
| SCHEMBL28673557 | 0.72 | CA12 (0.43) | — | |
| SCHEMBL27927783 | 0.72 | MMP1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001040244-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| WO-2001040245-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| EP-0183848-B1 | POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1990-09-12 | — | — | EP | disclosed |
| US-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |
| EP-0183848-A1 | POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1986-06-11 | — | — | EP | disclosed |