⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612084 | 0.85 | HTR2A (0.38) | — | |
| SCHEMBL6559823 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6295605 | 0.74 | — | — | |
| SCHEMBL7159362 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6720553 | 0.74 | — | — | |
| SCHEMBL7561186 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9065089 | 0.73 | — | — | |
| SCHEMBL7547350 | 0.72 | — | — | |
| SCHEMBL300454 | 0.71 | GABRA1 (0.45) | — | |
| SCHEMBL17186645 | 0.69 | HTR2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0685495-B1 | Method for using a supported metallocene catalyst system | PHILLIPS PETROLEUM CO (US) | 1998-04-08 | — | — | EP | claimed |