⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20209457 | 0.75 | MCL1 (0.41) | — | |
| SCHEMBL20209719 | 0.67 | MCL1 (0.41) | — | |
| SCHEMBL20209571 | 0.64 | MCL1 (0.36) | — | |
| SCHEMBL20209458 | 0.64 | MCL1 (0.36) | — | |
| SCHEMBL20202844 | 0.57 | MCL1 (0.43) | — | |
| SCHEMBL10253234 | 0.55 | ALDH1A1 (0.44) | — | |
| SCHEMBL29906670 | 0.55 | SLC16A3 (0.55) | — | |
| SCHEMBL26936294 | 0.55 | SLC16A3 (0.55) | — | |
| SCHEMBL19506949 | 0.54 | SLC16A3 (0.52) | — | |
| SCHEMBL11367407 | 0.53 | KMT2A (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180147250-A1 | SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS | THE UNIVERSITY OF CHICAGO | 2018-05-31 | — | — | US | disclosed |