⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20980862 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL20698609 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL20980937 | 0.75 | CD274 (0.31) | — | |
| SCHEMBL23713760 | 0.68 | — | — | |
| SCHEMBL24114555 | 0.68 | HRH3 (0.31) | — | |
| SCHEMBL21792999 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL23373683 | 0.67 | KMT2A (0.31) | — | |
| SCHEMBL24114465 | 0.66 | SLC29A1 (0.30) | — | |
| SCHEMBL12197924 | 0.66 | — | — | |
| SCHEMBL24272815 | 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 |
|---|---|---|---|---|---|---|---|
| US-20210236476-A1 | METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS | CHEMOCENTRYX, INC. | 2021-08-05 | — | — | US | disclosed |