⚠ 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 SCHEMBL7782707 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL672756 | 0.97 | — | — | |
| Fluoride Ion SCHEMBL1131323 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6053650 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6280394 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6053694 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6053865 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7792018 | 0.70 | — | — | |
| SCHEMBL7787526 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7183041 | 0.69 | — | — |
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-20010034298-A1 | CATALYST FOR POLYMERIZATION OF ETHYLENE AND METHOD FOR PRODUCING ETHYLENE POLYMERS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-10-25 | — | — | US | disclosed |