⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL4756117 | 0.95 | — | — | |
| SCHEMBL5165674 | 0.95 | — | — | |
| SCHEMBL9184767 | 0.95 | — | — | |
| SCHEMBL11139236 | 0.95 | — | — | |
| Zinc Ion SCHEMBL487385 | 0.95 | — | — | |
| Zinc Ion SCHEMBL4652437 | 0.89 | — | — | |
| SCHEMBL11147665 | 0.78 | FAAH (0.32) | — | |
| Zinc Ion SCHEMBL487157 | 0.76 | — | — | |
| SCHEMBL10579551 | 0.76 | — | — | |
| Zinc Ion SCHEMBL11539919 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4397767-A | METAL DEPOSITS ON CRACKING CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1983-08-09 | — | — | US | disclosed |
| US-4324648-A | TO PERMIT REGENERATION OF CATALYST BY OXIDATION | PHILLIPS PETROLEUM COMPANY (US) | 1982-04-13 | — | — | US | disclosed |