⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20147255 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL16211689 | 0.72 | MAP3K12 (0.34) | — | |
| SCHEMBL10899837 | 0.71 | POLB (0.34) | — | |
| SCHEMBL17510268 | 0.71 | BACE1 (0.31) | — | |
| SCHEMBL16210458 | 0.68 | SSTR4 (0.39) | — | |
| SCHEMBL97719 | 0.66 | — | — | |
| SCHEMBL8207621 | 0.64 | MEN1 (0.30) | — | |
| SCHEMBL30764121 | 0.64 | MEN1 (0.30) | — | |
| SCHEMBL28910743 | 0.64 | MEN1 (0.30) | — | |
| SCHEMBL30764120 | 0.64 | MEN1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10010549-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20180133219-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-05-17 | — | — | US | disclosed |