⚠ 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 SCHEMBL451220 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7549044 | 0.84 | — | — | |
| SCHEMBL6554396 | 0.81 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL3729607 | 0.80 | — | — | |
| SCHEMBL2805132 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3729040 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL446667 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL441519 | 0.77 | — | — | |
| SCHEMBL8779495 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7545536 | 0.75 | — | — |
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-0727443-A1 | Catalyst for olefin polymerization and process for producing olefin polymers | Tosoh Corporation (JP) | 1996-08-21 | — | — | EP | disclosed |