⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL653171 | 0.84 | — | — | |
| SCHEMBL7356906 | 0.84 | — | — | |
| SCHEMBL17164897 | 0.84 | — | — | |
| Water SCHEMBL28179339 | 0.79 | ALDH1A1 (0.62) | — | |
| Lithium Ion SCHEMBL28340040 | 0.79 | ALDH1A1 (0.62) | — | |
| SCHEMBL9636715 | 0.77 | LMNA (0.47) | — | |
| SCHEMBL27701207 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL21785 | 0.73 | — | — | |
| SCHEMBL11757482 | 0.71 | — | — | |
| SCHEMBL1639825 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0688852-B1 | Intumescent impregnation agent | WOLMAN GMBH DR (DE) | 1997-09-17 | — | — | EP | claimed |
| US-3959149-A | Isocyanate resin absorbent for free chlorine, heavy metals and heavy metallic compounds | NIPPON SODA COMPANY LIMITED (JA) | 1976-05-25 | — | — | US | disclosed |