⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12363486 | 1.00 | — | — | |
| SCHEMBL14645057 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL11492998 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL17379342 | 0.73 | — | — | |
| SCHEMBL7965767 | 0.73 | — | — | |
| SCHEMBL17379250 | 0.73 | — | — | |
| SCHEMBL840436 | 0.71 | — | — | |
| SCHEMBL12559536 | 0.71 | — | — | |
| SCHEMBL42873 | 0.71 | — | — | |
| SCHEMBL37585 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117940438-A | Heterocyclic compounds as MAP4K1 inhibitors | 缆图药品公司 | 2024-04-26 | — | — | CN | disclosed |