⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21653770 | 0.81 | — | — | |
| SCHEMBL21653702 | 0.78 | — | — | |
| SCHEMBL21653703 | 0.75 | — | — | |
| SCHEMBL21653660 | 0.73 | — | — | |
| SCHEMBL21653715 | 0.70 | — | — | |
| SCHEMBL25150837 | 0.67 | — | — | |
| SCHEMBL25150924 | 0.62 | — | — | |
| SCHEMBL21428219 | 0.62 | — | — | |
| SCHEMBL24165630 | 0.61 | — | — | |
| SCHEMBL21653783 | 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-2021149817-A1 | Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-07-29 | — | — | WO | disclosed |
| WO-2021115286-A1 | SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021085653-A1 | 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2021-05-06 | — | — | WO | disclosed |
| WO-2020022323-A1 | HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2020-01-30 | — | — | WO | disclosed |