⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15893898 | 1.00 | — | — | |
| SCHEMBL19338318 | 1.00 | — | — | |
| SCHEMBL8778452 | 0.88 | OR51E2 (0.38) | — | |
| SCHEMBL8299348 | 0.81 | CRBN (0.40) | — | |
| SCHEMBL22253150 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL22253147 | 0.78 | — | — | |
| SCHEMBL20667261 | 0.78 | MAP2K1 (0.30) | — | |
| SCHEMBL5986534 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL22255180 | 0.78 | MAP2K1 (0.30) | — | |
| SCHEMBL5759844 | 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 5 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-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| WO-2020150674-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| EP-2947085-B1 | OXAZOLIDONE COMPOUNDS, METHOD FOR PREPARING AND APPLICATION THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2017-09-13 | — | — | EP | disclosed |
| US-9682968-B2 | Piperidinyl-indole derivatives complement factor B inhibitors and uses thereof | NOVARTIS AG (CH) | 2017-06-20 | — | — | US | disclosed |