⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL11816179 | 0.97 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28190371 | 0.97 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL11813639 | 0.97 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28011491 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL463143 | 0.97 | — | — | |
| SCHEMBL9451397 | 0.95 | TSHR (0.42) | — | |
| SCHEMBL7133112 | 0.95 | TSHR (0.42) | — | |
| SCHEMBL1873873 | 0.95 | TSHR (0.42) | — | |
| SCHEMBL3507116 | 0.95 | — | — | |
| SCHEMBL4284127 | 0.95 | TSHR (0.42) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110139708-A | Molecularly imprinted polymer beads for extracting lithium, mercury and scandium | 第六波创新公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-107847906-A | Molecularly imprinted polymer beads for metal extraction and uses thereof | 第六波创新公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107446989-A | Determine the method and reagent of the sdLDL-C in sample | 美康生物科技股份有限公司 | 2017-12-08 | — | — | CN | disclosed |
| CN-107431244-A | Electrolyte for lithium secondary battery and the lithium secondary battery comprising it | 三星SDI株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-101798237-A | The preparation method who is used for flat structures through the rostone of antistatic treatment | EVONIK GOLDSCHMIDT GMBH | 2010-08-11 | — | — | CN | disclosed |
| US-7767826-B2 | Process for the synthesis of L-(+)-ergothioneine | PHARMATECH INTERNATIONAL, INC. (US) | 2010-08-03 | — | — | US | disclosed |
| CN-101502728-A | Defoaming of ionic liquids | EVONIK GOLDSCHMIDT GMBH (DE) | 2009-08-12 | — | — | CN | disclosed |
| US-20090093642-A1 | PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE | PHARMATECH INTERNATIONAL, INC. | 2009-04-09 | — | — | US | disclosed |
| WO-2009045413-A1 | PROCESS FOR THE SYNTHESIS OF L-(+)-ERGOTHIONEINE | PHARMATECH INTERNATIONAL, INC. (US) | 2009-04-09 | — | — | WO | disclosed |