⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28604936 | 0.72 | MAP4K1 (0.33) | — | |
| SCHEMBL21921477 | 0.72 | MAP4K1 (0.33) | — | |
| SCHEMBL30087894 | 0.72 | MAP4K1 (0.33) | — | |
| SCHEMBL28611842 | 0.70 | MAP4K1 (0.34) | — | |
| SCHEMBL30088100 | 0.70 | MAP4K1 (0.34) | — | |
| SCHEMBL21921376 | 0.70 | NNMT (0.41) | — | |
| SCHEMBL16196568 | 0.68 | NNMT (0.45) | — | |
| SCHEMBL13465804 | 0.66 | ACHE (0.47) | — | |
| SCHEMBL13432197 | 0.66 | OGA (0.45) | — | |
| SCHEMBL2600281 | 0.66 | JAK2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020061377-A1 | SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-03-26 | — | — | WO | disclosed |