⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23940739 | 0.88 | — | — | |
| SCHEMBL14614355 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL3376975 | 0.82 | — | — | |
| SCHEMBL19225511 | 0.75 | — | — | |
| SCHEMBL2239498 | 0.71 | — | — | |
| SCHEMBL8926772 | 0.69 | — | — | |
| SCHEMBL15534791 | 0.67 | — | — | |
| SCHEMBL30864029 | 0.67 | — | — | |
| SCHEMBL8769356 | 0.63 | — | — | |
| SCHEMBL3645432 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230143664-A1 | HETEROAROMATIC DERIVATIVES HAVING SEROTONIN RECEPTOR BINDING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2023-05-11 | — | — | US | disclosed |
| EP-3950673-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Inspirna, Inc. (US) | 2022-02-09 | — | — | EP | disclosed |
| EP-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |
| US-20210002256-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-01-07 | — | — | US | disclosed |