⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1463811 | 0.86 | — | — | |
| SCHEMBL13096625 | 0.85 | — | — | |
| SCHEMBL1443404 | 0.85 | — | — | |
| SCHEMBL3415310 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL6124689 | 0.80 | — | — | |
| SCHEMBL24045299 | 0.77 | — | — | |
| SCHEMBL24069200 | 0.77 | — | — | |
| SCHEMBL24485365 | 0.77 | — | — | |
| SCHEMBL29017392 | 0.77 | — | — | |
| SCHEMBL29821784 | 0.77 | — | — |
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-2023116934-A1 | KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州泽璟生物制药股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-8487099-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |