⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21673403 | 0.82 | GRIN2D (0.36) | — | |
| SCHEMBL21322397 | 0.72 | — | — | |
| SCHEMBL24004301 | 0.72 | — | — | |
| SCHEMBL21673245 | 0.69 | — | — | |
| SCHEMBL18202949 | 0.65 | NPC1 (0.41) | — | |
| SCHEMBL27283730 | 0.65 | PDE4A (0.34) | — | |
| SCHEMBL19242651 | 0.64 | — | — | |
| SCHEMBL22647641 | 0.64 | — | — | |
| SCHEMBL23583701 | 0.64 | — | — | |
| SCHEMBL24709708 | 0.61 | MCL1 (0.32) | — |
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-2019160882-A1 | PD-1/PD-L1 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-08-22 | — | — | WO | disclosed |