⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3409446 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL9499831 | 0.72 | — | — | |
| SCHEMBL9717624 | 0.72 | — | — | |
| SCHEMBL21471498 | 0.71 | — | — | |
| SCHEMBL3407121 | 0.70 | KMT2A (0.41) | — | |
| SCHEMBL18879270 | 0.68 | — | — | |
| SCHEMBL11708444 | 0.64 | — | — | |
| SCHEMBL21465806 | 0.63 | — | — | |
| SCHEMBL9909949 | 0.62 | — | — | |
| SCHEMBL14608840 | 0.62 | — | — |
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-112804995-A | Cryptoclidin analogue, application and synthetic method thereof | 蓝腾制药公司 | 2021-05-14 | — | — | CN | disclosed |