⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5431035 | 0.74 | — | — | |
| SCHEMBL11236948 | 0.72 | — | — | |
| SCHEMBL9690889 | 0.72 | — | — | |
| SCHEMBL27968318 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL3200940 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL8745427 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28489273 | 0.69 | — | — | |
| SCHEMBL4404614 | 0.69 | — | — | |
| SCHEMBL8733209 | 0.69 | — | — | |
| SCHEMBL27967817 | 0.69 | DPP4 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445190-A1 | PHARMACEUTICAL PRODUCT HAVING, IN PARTICULAR, A CARDIAC TROPISM COMPRISING A NITRURO COMPLEX OF A TRANSITION METAL AND PROCESS FOR PREPARATION THEREOF. | CIS BIO INT (FR) | 1991-09-11 | — | — | EP | disclosed |