⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2992065 | 0.89 | BACE1 (0.33) | — | |
| SCHEMBL2992061 | 0.89 | BACE1 (0.33) | — | |
| SCHEMBL179776 | 0.89 | BACE1 (0.33) | — | |
| SCHEMBL2469139 | 0.88 | BACE1 (0.32) | — | |
| SCHEMBL31741298 | 0.88 | BACE1 (0.32) | — | |
| SCHEMBL2468842 | 0.88 | BACE1 (0.32) | — | |
| SCHEMBL2465935 | 0.88 | BACE1 (0.32) | — | |
| SCHEMBL2471188 | 0.88 | BACE1 (0.32) | — | |
| SCHEMBL2463994 | 0.88 | BACE1 (0.32) | — | |
| Acrylic Acid SCHEMBL4823826 | 0.86 | GAA (0.30) | — |
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-3962182-A | CHROMIUMIII CARBOXYLATE CATALYST | AEROJET-GENERAL CORPORATION (US) | 1976-06-08 | — | — | US | disclosed |