⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL388201 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8606462 | 0.88 | — | — | |
| SCHEMBL7048432 | 0.86 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL389318 | 0.85 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8604035 | 0.83 | — | — | |
| SCHEMBL4325273 | 0.83 | GABRA1 (0.32) | — | |
| Fluoride SCHEMBL7641255 | 0.81 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL272025 | 0.81 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7562689 | 0.79 | TGFBR1 (0.30) | — | |
| SCHEMBL7599151 | 0.79 | — | — |
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-1058694-B1 | Catalyst system, method for its production and its use for the polymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-04-09 | — | — | EP | claimed |