⚠ 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 SCHEMBL6360293 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6354246 | 0.72 | TACR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6351676 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6350933 | 0.69 | — | — | |
| SCHEMBL2013003 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL715175 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6358593 | 0.67 | — | — | |
| SCHEMBL5612571 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1618616 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5349634 | 0.66 | POLB (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120172552-A1 | TRANSITION METAL ION COMPLEX, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING POLYMER | SENDA TAICHI (JP) | 2012-07-05 | — | — | US | disclosed |
| US-20100204420-A1 | TRANSITION METAL ION COMPLEX, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-08-12 | — | — | US | disclosed |
| EP-2199297-A1 | TRANSITION METAL ION COMPLEX, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING POLYMER | Sumitomo Chemical Company, Limited (JP) | 2010-06-23 | — | — | EP | disclosed |