⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4957784 | 0.83 | CA2 (0.30) | — | |
| Oxirane SCHEMBL16266197 | 0.83 | CA2 (0.30) | — | |
| SCHEMBL29655 | 0.80 | — | — | |
| SCHEMBL28900865 | 0.80 | CA2 (0.36) | — | |
| SCHEMBL15349414 | 0.80 | CA2 (0.36) | — | |
| Fluoride SCHEMBL28470680 | 0.78 | CA2 (0.32) | — | |
| SCHEMBL9055917 | 0.78 | — | — | |
| SCHEMBL2537776 | 0.78 | — | — | |
| Rubidium SCHEMBL2548472 | 0.78 | — | — | |
| SCHEMBL900459 | 0.78 | — | — |
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-4502975-A | WATER POLLUTION CONTROL | NEW JAPAN CHEMICAL CO., LTD. (JP) | 1985-03-05 | — | — | US | disclosed |