⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26213457 | 0.78 | — | — | |
| SCHEMBL25873782 | 0.78 | — | — | |
| SCHEMBL25470131 | 0.72 | — | — | |
| SCHEMBL25936041 | 0.71 | — | — | |
| SCHEMBL25952119 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL18893262 | 0.70 | — | — | |
| SCHEMBL2113997 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL26541094 | 0.65 | — | — | |
| SCHEMBL18792907 | 0.60 | — | — | |
| SCHEMBL13083073 | 0.60 | KDM1A (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11225480-B2 | Malic enzyme inhibitors | SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) | 2022-01-18 | — | — | US | disclosed |
| US-20210115038-A1 | MALIC ENZYME INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) | 2021-04-22 | — | — | US | disclosed |