⚠ 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 SCHEMBL8462597 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8459861 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9010280 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8463822 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8463236 | 0.76 | BRD4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9010085 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8463687 | 0.73 | — | — | |
| SCHEMBL9010309 | 0.68 | — | — | |
| Ethylene SCHEMBL9409581 | 0.66 | HTR2A (0.35) | — | |
| SCHEMBL7196286 | 0.65 | HTR2A (0.38) | — |
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-0741145-A1 | Olefin polymerization catalyst and process for producing polyolefin using the same | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-11-06 | — | — | EP | disclosed |