⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24297549 | 1.00 | — | — | |
| SCHEMBL19001421 | 0.81 | — | — | |
| SCHEMBL21863374 | 0.79 | — | — | |
| SCHEMBL16351072 | 0.74 | — | — | |
| SCHEMBL12164459 | 0.74 | — | — | |
| SCHEMBL16609901 | 0.74 | — | — | |
| SCHEMBL17553579 | 0.72 | — | — | |
| SCHEMBL22167579 | 0.72 | — | — | |
| SCHEMBL13359250 | 0.72 | — | — | |
| SCHEMBL19674933 | 0.71 | — | — |
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-4180438-A1 | 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS | Cancer Targeted Technology LLC (US) | 2023-05-17 | — | — | EP | disclosed |
| WO-2017114510-A1 | COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY, METHOD FOR PREPARATION THEREOF, AND USE THEREOF | 中国科学院上海药物研究所 | 2017-07-06 | — | — | WO | disclosed |