⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15702983 | 0.78 | — | — | |
| SCHEMBL18090597 | 0.66 | — | — | |
| SCHEMBL19403039 | 0.64 | — | — | |
| SCHEMBL24843811 | 0.62 | — | — | |
| SCHEMBL11324595 | 0.61 | — | — | |
| SCHEMBL18731621 | 0.61 | — | — | |
| SCHEMBL14554143 | 0.59 | — | — | |
| SCHEMBL17806623 | 0.59 | — | — | |
| SCHEMBL2683646 | 0.59 | SLC18A2 (0.36) | — | |
| SCHEMBL24900229 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072297-A1 | NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| WO-2023066357-A1 | FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2023066371-A1 | NITROGEN-CONTAINING TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2023011581-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-02-09 | — | — | WO | disclosed |