⚠ 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 SCHEMBL8463633 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8462872 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8459919 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9010021 | 0.76 | HTR6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8463129 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9010140 | 0.70 | — | — | |
| SCHEMBL4457342 | 0.66 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL8460624 | 0.65 | — | — | |
| SCHEMBL29929995 | 0.63 | BRD4 (0.35) | — | |
| SCHEMBL1922929 | 0.63 | BRD4 (0.35) | — |
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 |