⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127369 | 0.83 | IDO1 (0.69) | — | |
| SCHEMBL24325407 | 0.77 | GFER (0.33) | — | |
| SCHEMBL441726 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL10049612 | 0.73 | GFER (0.47) | — | |
| SCHEMBL17756332 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL13227358 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL635341 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL17756329 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL883553 | 0.71 | — | — | |
| SCHEMBL1756101 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108342013-A | A kind of hybrid cross-linked dynamic aggregation object and its application | 翁秋梅 | 2018-07-31 | — | — | CN | disclosed |
| WO-2008103354-A2 | MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF | CROPSOLUTION, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1619177-B1 | ORGANIC ELECTROLUMINESCENCE ELEMENT | FUJIFILM CORP (JP) | 2008-02-27 | — | — | EP | disclosed |