⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7625313 | 1.00 | — | — | |
| SCHEMBL16454010 | 1.00 | — | — | |
| SCHEMBL21900849 | 0.98 | CYP1A2 (0.41) | — | |
| SCHEMBL4774239 | 0.92 | — | — | |
| SCHEMBL3569489 | 0.92 | — | — | |
| SCHEMBL1644988 | 0.92 | — | — | |
| SCHEMBL27965922 | 0.84 | CHRNB2 (0.31) | — | |
| SCHEMBL23747471 | 0.81 | — | — | |
| SCHEMBL28106678 | 0.78 | CYP1A2 (0.33) | — | |
| Benzoic Acid SCHEMBL8188955 | 0.77 | CHRNB2 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023274383-A1 | KRAS G12D INHIBITOR AND USE THEREOF | 上海迪诺医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |
| US-8188089-B2 | Tylophorine analogs as antitumor agents | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-05-29 | — | — | US | disclosed |
| US-20080300254-A1 | Tylophorine Analogs as Antitumor Agents | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-12-04 | — | — | US | disclosed |