⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11413782 | 0.97 | — | — | |
| SCHEMBL17482293 | 0.83 | — | — | |
| SCHEMBL11408559 | 0.81 | NPC1 (0.39) | — | |
| SCHEMBL28799234 | 0.79 | FAAH (0.50) | — | |
| SCHEMBL9419479 | 0.78 | — | — | |
| SCHEMBL6255623 | 0.78 | — | — | |
| SCHEMBL10939011 | 0.76 | CA2 (0.32) | — | |
| SCHEMBL11413833 | 0.75 | — | — | |
| SCHEMBL8743450 | 0.75 | — | — | |
| SCHEMBL4318769 | 0.75 | CA1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103306134-B | Surface treating agent capable of modifying protein fibers and preparation method and usage thereof | XI MINHAO | 2015-02-11 | — | — | CN | claimed |
| CN-112694883-A | Foam composition for improving recovery ratio of heavy oil reservoir and preparation method thereof | 中国石油化工股份有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-103306134-B | Surface treating agent capable of modifying protein fibers and preparation method and usage thereof | XI MINHAO | 2015-02-11 | — | — | CN | disclosed |
| CN-1854133-B | Heterocycle-bearing onium salts | WAKO PURE CHEM IND LTD | 2010-11-10 | — | — | CN | disclosed |
| CN-100475803-C | Heterocyclic onium salt | WAKO PURE CHEM IND LTD (JP) | 2009-04-08 | — | — | CN | disclosed |
| CN-1854133-A | Heterocycle-bearing onium salts | WAKO PURE CHEM IND LTD (JP) | 2006-11-01 | — | — | CN | disclosed |
| CN-1622943-A | Heterocyclic onium salt | WAKO PURE CHEM IND LTD (JP) | 2005-06-01 | — | — | CN | disclosed |