⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5741106 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL29599022 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL25978623 | 0.74 | — | — | |
| SCHEMBL2970124 | 0.74 | — | — | |
| SCHEMBL9921787 | 0.74 | — | — | |
| SCHEMBL255150 | 0.72 | — | — | |
| SCHEMBL23977542 | 0.72 | — | — | |
| SCHEMBL17643549 | 0.72 | CYP2D6 (0.37) | — | |
| SCHEMBL19231596 | 0.72 | — | — | |
| Dimethyl Succinate SCHEMBL28054469 | 0.72 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11680073-B2 | Anticancer indenes, indanes, azaindenes, azaindanes, pharmaceutical compositions and uses | ADT PHARMACEUTICALS, LLC (US) | 2023-06-20 | — | — | US | disclosed |
| WO-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |
| EP-3615522-B1 | C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2021-08-04 | — | — | EP | disclosed |
| EP-2740723-B1 | SULPHAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | KOREA RES INST CHEMICAL TECH (KR) | 2017-05-10 | — | — | EP | disclosed |