⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28111017 | 0.80 | HRH3 (0.39) | — | |
| SCHEMBL12527708 | 0.78 | — | — | |
| SCHEMBL10119843 | 0.78 | — | — | |
| SCHEMBL10540660 | 0.76 | — | — | |
| SCHEMBL14445004 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL21215266 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL7422106 | 0.74 | — | — | |
| SCHEMBL22043237 | 0.74 | HRH3 (0.36) | — | |
| SCHEMBL16255540 | 0.73 | — | — | |
| SCHEMBL58102 | 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-5059391-A | USE OF POLYARALKYLAMINES AS CORROSION INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-22 | — | — | US | disclosed |