Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Thiourea. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL11773600 | 0.95 | — | — | |
| Ethylenediamine SCHEMBL3360101 | 0.86 | — | — | |
| Ethylenediamine SCHEMBL27213948 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL27783362 | 0.82 | TSHR (0.39) | — | |
| Ethylenediamine SCHEMBL32676354 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL27784463 | 0.82 | ALDH1A1 (0.45) | — | |
| Thiourea SCHEMBL30536978 | 0.78 | — | — | |
| Thiourea SCHEMBL850383 | 0.78 | — | — | |
| Thiourea SCHEMBL30536984 | 0.78 | — | — | |
| Thiourea SCHEMBL1008 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108855141-B | ReS2/CdS photocatalyst and preparation method and application thereof | 南阳师范学院 | 2019-12-27 | — | — | CN | claimed |
| CN-108855141-B | ReS2/CdS photocatalyst and preparation method and application thereof | 南阳师范学院 | 2019-12-27 | — | — | CN | disclosed |
| CN-106317063-B | A kind of preparation and application of response type mercury ion fluorescence probe | 浙江大学城市学院 | 2018-05-01 | — | — | CN | disclosed |
| CN-106317063-A | Preparing and application of a reactive mercury ion fluorescence probe | 浙江大学城市学院 | 2017-01-11 | — | — | CN | disclosed |