⚠ 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28324882 | 0.83 | TDP1 (0.34) | — | |
| SCHEMBL29309000 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL860533 | 0.72 | — | — | |
| SCHEMBL28320936 | 0.71 | — | — | |
| SCHEMBL5999566 | 0.69 | — | — | |
| SCHEMBL45543 | 0.69 | — | — | |
| SCHEMBL2080965 | 0.69 | — | — | |
| SCHEMBL6260407 | 0.68 | — | — | |
| SCHEMBL20103719 | 0.67 | — | — | |
| SCHEMBL7421378 | 0.64 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156786-A | Pyrimido-cyclic compounds, process for their preparation and their use | 上海青煜医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-110143949-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2019-08-20 | — | — | CN | disclosed |
| EP-3468972-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2019-04-17 | — | — | EP | disclosed |
| EP-3310774-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2018-04-25 | — | — | EP | disclosed |
| EP-3310771-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | Novartis AG (CH) | 2018-04-25 | — | — | EP | disclosed |
| WO-2017216706-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2017-12-21 | — | — | WO | disclosed |
| WO-2016203405-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2016-12-22 | — | — | WO | disclosed |
| WO-2016203406-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 | NOVARTIS AG (CH) | 2016-12-22 | — | — | WO | disclosed |