⚠ 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 | |
|---|---|---|---|---|
| D-Alanine SCHEMBL27970972 | 1.00 | — | — | |
| Alanine SCHEMBL28602339 | 1.00 | — | — | |
| Alanine SCHEMBL28244159 | 1.00 | — | — | |
| Alanine SCHEMBL28112201 | 1.00 | — | — | |
| Alanine SCHEMBL1436679 | 1.00 | — | — | |
| Alanine SCHEMBL21828377 | 1.00 | SLC7A5 (0.56) | — | |
| Alanine SCHEMBL1332110 | 0.96 | — | — | |
| D-Alanine SCHEMBL2027760 | 0.96 | SLC7A5 (0.59) | — | |
| Alanine SCHEMBL2784274 | 0.96 | — | — | |
| Alanine SCHEMBL452350 | 0.96 | SLC7A5 (0.59) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814014-B | Novel gemini surfactants and their use | 英派尔科技开发有限公司 | 2018-06-12 | — | — | CN | disclosed |
| CN-101325946-B | Hair treatment compositions | AVON PROD INC | 2013-06-12 | — | — | CN | disclosed |
| CN-101325946-A | Novel hair treatment compositions | AVON PROD INC (US) | 2008-12-17 | — | — | CN | disclosed |
| EP-1213611-A2 | Photographic element and package | EASTMAN KODAK COMPANY (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1182500-A2 | Improved color negative film | EASTMAN KODAK COMPANY (US) | 2002-02-27 | — | — | EP | disclosed |