⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105594 | 0.86 | — | — | |
| SCHEMBL2106587 | 0.74 | GABRP (0.31) | — | |
| SCHEMBL1950883 | 0.74 | TRPA1 (0.30) | — | |
| SCHEMBL2106787 | 0.74 | PDE2A (0.34) | — | |
| SCHEMBL15323261 | 0.73 | — | — | |
| SCHEMBL2103836 | 0.73 | — | — | |
| SCHEMBL2106298 | 0.72 | — | — | |
| SCHEMBL2105829 | 0.72 | — | — | |
| SCHEMBL2105258 | 0.71 | EPAS1 (0.39) | — | |
| SCHEMBL2106406 | 0.71 | ALDH1A1 (0.31) | — |
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 |