⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1948242 | 0.93 | — | — | |
| SCHEMBL2103791 | 0.90 | AR (0.31) | — | |
| SCHEMBL2105506 | 0.87 | PTGS2 (0.33) | — | |
| SCHEMBL17554843 | 0.86 | — | — | |
| SCHEMBL2106490 | 0.85 | TGFBR1 (0.32) | — | |
| SCHEMBL17554825 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL1948506 | 0.84 | KIF11 (0.37) | — | |
| SCHEMBL2107448 | 0.82 | CHUK (0.34) | — | |
| SCHEMBL2105436 | 0.82 | — | — | |
| SCHEMBL2104577 | 0.82 | — | — |
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-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20090162453-A1 | COMPOSITION FOR PREVENTING HARMFUL ORGANISMS | MITSUI CHEMICALS, INC (JP) | 2009-06-25 | — | — | US | disclosed |