⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10814539 | 0.97 | — | — | |
| SCHEMBL16314413 | 0.75 | — | — | |
| SCHEMBL18671040 | 0.72 | — | — | |
| SCHEMBL17502481 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL6270090 | 0.72 | TSHR (0.56) | — | |
| SCHEMBL407915 | 0.72 | — | — | |
| SCHEMBL3093440 | 0.69 | TSHR (0.53) | — | |
| SCHEMBL89011 | 0.69 | — | — | |
| SCHEMBL12817297 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL7033333 | 0.69 | TSHR (0.53) | — |
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-111007197-A | Method for rapidly determining thioglycollic acid content | 中检科健(天津)检验检测有限责任公司 | 2020-04-14 | — | — | CN | disclosed |
| US-20170145029-A1 | CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF | Bayer Pharma AG (DE) | 2017-05-25 | — | — | US | disclosed |
| US-9604996-B2 | Cyclic thienouracil-carboxamides and use thereof | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-03-28 | — | — | US | disclosed |
| WO-2016037180-A1 | THIOL-ENE FUNCTIONALIZED HYDROGELS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-03-10 | — | — | WO | disclosed |