⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17813470 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL7923054 | 0.76 | HRH4 (0.33) | — | |
| SCHEMBL17813515 | 0.74 | BRPF1 (0.47) | — | |
| SCHEMBL25462578 | 0.73 | CRBN (0.41) | — | |
| SCHEMBL7679422 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL25462420 | 0.71 | — | — | |
| SCHEMBL7922276 | 0.70 | CCR1 (0.31) | — | |
| SCHEMBL21303631 | 0.70 | NOS3 (0.32) | — | |
| SCHEMBL19526135 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL23889656 | 0.68 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889152-A1 | HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |