⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL535571 | 0.83 | — | — | |
| SCHEMBL6741096 | 0.77 | — | — | |
| SCHEMBL16910904 | 0.75 | ADORA2A (0.32) | — | |
| SCHEMBL16911259 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL16911955 | 0.62 | — | — | |
| SCHEMBL16911852 | 0.61 | — | — | |
| SCHEMBL10044415 | 0.60 | PTGS2 (0.48) | — | |
| SCHEMBL26587902 | 0.60 | — | — | |
| SCHEMBL10915917 | 0.58 | — | — | |
| SCHEMBL358347 | 0.58 | — | — |
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-20100137314-A1 | HARMFUL ORGANISM CONTROL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-06-03 | — | — | US | disclosed |
| US-20100099692-A1 | HARMFUL ORGANISM CONTROL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-22 | — | — | US | disclosed |