⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL4170924 | 0.86 | EPHX2 (0.32) | — | |
| SCHEMBL863207 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL987686 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL987158 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL985625 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL863289 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL317547 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL863208 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL76364 | 0.86 | EPHX2 (0.33) | — | |
| SCHEMBL6379666 | 0.85 | ALDH1A1 (0.32) | — |
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-108250788-B | Pyridone azo disperse dye containing sulfonate group and synthesis method thereof | 江苏迪安化工有限公司 | 2021-11-16 | — | — | CN | disclosed |
| US-20050085516-A1 | 2-W-diaminocarboxylic acid compounds | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-21 | — | — | US | disclosed |
| EP-1451148-A2 | 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003045878-A2 | 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-05 | — | — | WO | disclosed |