⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21920354 | 1.00 | — | — | |
| SCHEMBL21920835 | 0.80 | MAP4K1 (0.31) | — | |
| SCHEMBL28603260 | 0.80 | MAP4K1 (0.31) | — | |
| SCHEMBL21920807 | 0.78 | MAP4K1 (0.33) | — | |
| SCHEMBL21921481 | 0.76 | MAP4K1 (0.35) | — | |
| SCHEMBL30087998 | 0.75 | MAP4K1 (0.34) | — | |
| SCHEMBL21920356 | 0.75 | MAP4K1 (0.34) | — | |
| SCHEMBL21920578 | 0.66 | MAP4K1 (0.38) | — | |
| SCHEMBL21920828 | 0.65 | — | — | |
| SCHEMBL21921466 | 0.65 | — | — |
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-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-06-22 | — | — | CN | disclosed |