⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6242978 | 0.83 | CA4 (0.67) | — | |
| Ammonia Solution, Strong SCHEMBL5160255 | 0.80 | CA4 (0.63) | — | |
| SCHEMBL30555912 | 0.77 | CA4 (0.36) | — | |
| SCHEMBL5154216 | 0.76 | — | — | |
| SCHEMBL3653725 | 0.76 | — | — | |
| SCHEMBL4362470 | 0.76 | — | — | |
| SCHEMBL27837210 | 0.74 | CA4 (0.62) | — | |
| Ammonia Solution, Strong SCHEMBL27875150 | 0.74 | ALDH1A1 (0.38) | — | |
| Methylamine SCHEMBL28070982 | 0.74 | — | — | |
| SCHEMBL2556944 | 0.73 | CA4 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019418-B1 | INOSITOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | BIONERIS AB (SE) | 2004-04-28 | — | — | EP | claimed |
| CN-112851879-B | Polycarboxylate superplasticizer for concrete and preparation method thereof | 科之杰新材料集团(贵州)有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-112851879-A | Polycarboxylate superplasticizer for concrete and preparation method thereof | 科之杰新材料集团(贵州)有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-112638893-A | Substituted thiophenecarboxamides and analogs as antibacterial agents | 拜耳公司 | 2021-04-09 | — | — | CN | disclosed |
| US-9731981-B2 | Rare earth adsorbent and rare earth adsorption method using the same | KABUSHIKI KAISHA TOSHIBA (JP) | 2017-08-15 | — | — | US | disclosed |
| US-20160207793-A1 | RARE EARTH ADSORBENT AND RARE EARTH ADSORPTION METHOD USING THE SAME | KABUSHIKI KAISHA TOSHIBA (JP) | 2016-07-21 | — | — | US | disclosed |