⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466965 | 0.71 | — | — | |
| SCHEMBL9960470 | 0.66 | — | — | |
| SCHEMBL5013694 | 0.65 | — | — | |
| SCHEMBL6227964 | 0.65 | — | — | |
| SCHEMBL4393759 | 0.64 | — | — | |
| SCHEMBL3811064 | 0.60 | — | — | |
| SCHEMBL1603317 | 0.60 | — | — | |
| SCHEMBL1603958 | 0.60 | — | — | |
| SCHEMBL1603253 | 0.60 | — | — | |
| SCHEMBL1603263 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113480550-B | Bishydroxycoumarin conjugated porphyrin derivative and preparation method thereof | 南京林业大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-113480550-A | Bishydroxycoumarin conjugated porphyrin derivative and preparation method thereof | 南京林业大学 | 2021-10-08 | — | — | CN | disclosed |
| WO-1991016053-A1 | THE USE OF SYNTHETIC METALLOPORPHYRINS IN THE TREATMENT OF HYPERTENSION AND OTHER VASCULAR DISORDERS | THE ROCKEFELLER UNIVERSITY (US) | 1991-10-31 | — | — | WO | disclosed |