⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28186420 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL28002080 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL27514353 | 0.81 | ESR1 (0.31) | — | |
| SCHEMBL10864816 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL5705010 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL28297581 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL4447709 | 0.78 | ESR2 (0.48) | — | |
| SCHEMBL43008 | 0.78 | KMT2A (0.34) | — | |
| SCHEMBL29178247 | 0.78 | — | — | |
| SCHEMBL19466455 | 0.77 | KMT2A (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106217917-A | A kind of Making method of environment-friendlyflame flame retardant polyolefin hot pyrocondensation pipe | 苏州泰斯拓伟机电设备有限公司 | 2016-12-14 | — | — | CN | disclosed |