⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL346743 | 0.95 | — | — | |
| SCHEMBL11752354 | 0.95 | — | — | |
| Zinc Ion SCHEMBL2060006 | 0.89 | CTSA (0.30) | — | |
| Zinc Ion SCHEMBL8201433 | 0.77 | — | — | |
| SCHEMBL8020240 | 0.75 | ANPEP (0.31) | — | |
| SCHEMBL12038322 | 0.75 | CTSA (0.36) | — | |
| SCHEMBL18535335 | 0.75 | ANPEP (0.31) | — | |
| SCHEMBL9184767 | 0.73 | — | — | |
| Zinc Ion SCHEMBL11720243 | 0.73 | LAP3 (0.34) | — | |
| Zinc Ion SCHEMBL487385 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4226733-A | AMINE COMPLEX OF A NICKEL ALKYL PHENOLATE SULFIDE AS AN OIL ADDITIVE | MOBIL OIL CORPORATION (US) | 1980-10-07 | — | — | US | disclosed |