⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25102097 | 0.82 | — | — | |
| SCHEMBL24309071 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL24309192 | 0.77 | — | — | |
| SCHEMBL21669920 | 0.75 | CYP1A2 (0.30) | — | |
| SCHEMBL19264580 | 0.75 | — | — | |
| SCHEMBL20349520 | 0.75 | CYP2D6 (0.45) | — | |
| SCHEMBL23159563 | 0.75 | GRM5 (0.34) | — | |
| SCHEMBL18390926 | 0.73 | USP2 (0.51) | — | |
| SCHEMBL21372038 | 0.73 | CYP3A4 (0.45) | — | |
| SCHEMBL23323429 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025918-A1 | KRAS G12D Inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-01-25 | — | — | US | disclosed |
| US-20220402915-A1 | BCL-2 INHIBITORS | BEONE MEDICINES I GMBH (CH) | 2022-12-22 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | US | disclosed |
| WO-2019178383-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2019-09-19 | — | — | WO | disclosed |
| US-9782408-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-10-10 | — | — | US | disclosed |