⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27585075 | 0.75 | HSD17B13 (0.37) | — | |
| SCHEMBL27619838 | 0.71 | KMT2A (0.43) | — | |
| SCHEMBL28312160 | 0.64 | CA12 (0.34) | — | |
| SCHEMBL27841352 | 0.62 | ALKBH5 (0.36) | — | |
| SCHEMBL2703082 | 0.62 | MAPT (0.38) | — | |
| SCHEMBL11217234 | 0.60 | HSD17B13 (0.35) | — | |
| SCHEMBL2976955 | 0.60 | CRBN (0.48) | — | |
| SCHEMBL28132697 | 0.58 | CRBN (0.47) | — | |
| SCHEMBL10679054 | 0.57 | LMNA (0.38) | — | |
| SCHEMBL7546869 | 0.57 | CRBN (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108601835-A | Microvesicle-chemotherapeutant compound for sound motivation therapy | 阿尔斯特大学 | 2018-09-28 | — | — | CN | disclosed |