⚠ 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 SCHEMBL6835902 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL6731451 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6724585 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6835900 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6731447 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6724584 | 0.67 | — | — | |
| SCHEMBL8675506 | 0.61 | — | — | |
| SCHEMBL8675485 | 0.61 | — | — | |
| SCHEMBL8677878 | 0.61 | — | — | |
| SCHEMBL6909870 | 0.61 | CTSD (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001098381-A2 | POLYMERIZATION PROCESS USING SELF-SUPPORTED CATALYSTS | ALBEMARLE CORPORATION (US) | 2001-12-27 | — | — | WO | disclosed |