⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381784 | 0.79 | — | — | |
| SCHEMBL4797321 | 0.76 | — | — | |
| SCHEMBL1229356 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL4947859 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL1191430 | 0.71 | — | — | |
| SCHEMBL8846741 | 0.69 | — | — | |
| SCHEMBL790909 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL7016685 | 0.66 | — | — | |
| SCHEMBL2496113 | 0.65 | — | — | |
| SCHEMBL6619963 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177047-B1 | MIXTURE OF AMINOTRIMETHYLENEPHOSPHONIC ACID, ZINC CHLORIDE, ALUMINUM COMPOUND AND HYDROCHLORIC ACID | THERMPHOS TRADING GMBH (CH) | 2001-01-23 | — | — | US | disclosed |
| EP-0822270-A1 | Water-treatment composition and method of use | Solutia Europe N.V./S.A. (BE) | 1998-02-04 | — | — | EP | disclosed |