⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105436 | 0.90 | — | — | |
| SCHEMBL2106563 | 0.85 | — | — | |
| SCHEMBL2104340 | 0.82 | — | — | |
| SCHEMBL17554830 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL17554948 | 0.81 | HSD11B1 (0.32) | — | |
| SCHEMBL2105893 | 0.81 | HSD11B1 (0.35) | — | |
| SCHEMBL17554884 | 0.80 | MPL (0.35) | — | |
| SCHEMBL2105845 | 0.80 | — | — | |
| SCHEMBL17554941 | 0.80 | FFAR1 (0.30) | — | |
| SCHEMBL2106490 | 0.79 | TGFBR1 (0.32) | — |
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 |