⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7798086 | 1.00 | — | — | |
| SCHEMBL18925257 | 0.75 | — | — | |
| SCHEMBL4331044 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4330490 | 0.73 | — | — | |
| SCHEMBL5967284 | 0.73 | — | — | |
| Bicarbonate SCHEMBL27732642 | 0.71 | — | — | |
| Bicarbonate SCHEMBL27732671 | 0.71 | SLC1A3 (0.48) | — | |
| SCHEMBL24225951 | 0.71 | — | — | |
| SCHEMBL303947 | 0.71 | — | — | |
| Alanine SCHEMBL5676881 | 0.71 | SLC1A3 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3943083-A1 | SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME | Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) | 2022-01-26 | — | — | EP | disclosed |
| EP-3176154-A1 | BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS | Portola Pharmaceuticals, Inc. (US) | 2017-06-07 | — | — | EP | disclosed |