⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11147572 | 0.95 | — | — | |
| SCHEMBL869932 | 0.95 | CA12 (0.31) | — | |
| Potassium Ion SCHEMBL4756109 | 0.95 | — | — | |
| SCHEMBL2819778 | 0.95 | — | — | |
| SCHEMBL11146208 | 0.95 | — | — | |
| SCHEMBL3920783 | 0.95 | — | — | |
| SCHEMBL4756102 | 0.95 | — | — | |
| Zinc Ion SCHEMBL164022 | 0.95 | — | — | |
| SCHEMBL10824039 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL9502297 | 0.88 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4207204-A | VANADIUM, IRON, OR NICKEL | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-10 | — | — | US | claimed |
| US-4166806-A | Cracking catalyst passivated with a crude antimony phosphorodithioate | PHILLIPS PETROLEUM COMPANY (US) | 1979-09-04 | — | — | US | claimed |
| US-4166806-A | Cracking catalyst passivated with a crude antimony phosphorodithioate | PHILLIPS PETROLEUM COMPANY (US) | 1979-09-04 | — | — | US | disclosed |