⚠ 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 SCHEMBL8853730 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4542219 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4542216 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4524453 | 0.76 | — | — | |
| Iodide SCHEMBL9459926 | 0.73 | — | — | |
| SCHEMBL30661142 | 0.72 | PTPN1 (0.32) | — | |
| SCHEMBL4021598 | 0.72 | — | — | |
| SCHEMBL28227557 | 0.72 | PTPN1 (0.32) | — | |
| SCHEMBL407583 | 0.72 | — | — | |
| SCHEMBL15533446 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6284700-B1 | COORDINATION POLYMERIZATION CATALYSTS | SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) | 2001-09-04 | — | — | US | disclosed |