⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22209271 | 0.76 | — | — | |
| SCHEMBL21584910 | 0.73 | — | — | |
| SCHEMBL27115917 | 0.73 | CRHBP (0.31) | — | |
| SCHEMBL22645187 | 0.73 | — | — | |
| SCHEMBL26288076 | 0.71 | — | — | |
| SCHEMBL26999531 | 0.71 | — | — | |
| SCHEMBL24819398 | 0.66 | HRH3 (0.33) | — | |
| SCHEMBL14497312 | 0.66 | HRH3 (0.33) | — | |
| SCHEMBL22209269 | 0.65 | — | — | |
| SCHEMBL25773871 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11040972-B2 | Autotaxin inhibitors and uses thereof | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2021-06-22 | — | — | US | disclosed |
| US-20200354357-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2020-11-12 | — | — | US | disclosed |