⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29281124 | 0.89 | — | — | |
| SCHEMBL15909 | 0.89 | — | — | |
| Water SCHEMBL537342 | 0.89 | — | — | |
| SCHEMBL27713441 | 0.89 | — | — | |
| SCHEMBL25336593 | 0.80 | — | — | |
| SCHEMBL1898765 | 0.80 | — | — | |
| SCHEMBL28366862 | 0.80 | — | — | |
| SCHEMBL6395517 | 0.80 | — | — | |
| SCHEMBL10535141 | 0.80 | — | — | |
| SCHEMBL23356038 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-52036582-A | — | — | None | — | — | JP | disclosed |
| JP-S5236582-A | ELECTROLYTIC CATHODE HAVING*COBALT ZIRCONIUM DIOXIDE FUSED SPRAY COAT | DIAMOND SHAMROCK CORP | 1977-03-19 | — | — | JP | disclosed |