⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17808288 | 0.83 | HMGCR (0.32) | — | |
| SCHEMBL17813820 | 0.80 | MEN1 (0.35) | — | |
| SCHEMBL17808315 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL20091003 | 0.69 | IRAK4 (0.33) | — | |
| SCHEMBL15853598 | 0.67 | TRPA1 (0.32) | — | |
| SCHEMBL17816235 | 0.65 | GABRA1 (0.33) | — | |
| SCHEMBL27114763 | 0.63 | CYP3A4 (0.32) | — | |
| SCHEMBL6232310 | 0.63 | ALDH1A1 (0.49) | — | |
| SCHEMBL26496256 | 0.62 | CYP2D6 (0.31) | — | |
| SCHEMBL18699147 | 0.60 | ELANE (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |
| US-9611248-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2017-04-04 | — | — | US | disclosed |
| US-20160159767-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |