⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL27335778 | 0.94 | TSHR (0.75) | — | |
| Thiourea SCHEMBL110431 | 0.94 | — | — | |
| Thiourea SCHEMBL11869817 | 0.94 | — | — | |
| Thiourea SCHEMBL5429102 | 0.89 | — | — | |
| Thiourea SCHEMBL26113889 | 0.88 | — | — | |
| Thiourea SCHEMBL850383 | 0.82 | — | — | |
| Thiourea SCHEMBL30536984 | 0.82 | — | — | |
| Thiourea SCHEMBL1008 | 0.82 | — | — | |
| Thiourea SCHEMBL30536978 | 0.82 | — | — | |
| Urea SCHEMBL6264282 | 0.80 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106046040-A | Ethylene thiourea silane derivative and trace preparation method thereof | 福清出入境检验检疫局综合技术服务中心 | 2016-10-26 | — | — | CN | disclosed |
| CN-106046040-A | Ethylene thiourea silane derivative and trace preparation method thereof | 福清出入境检验检疫局综合技术服务中心 | 2016-10-26 | — | — | CN | disclosed |