⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21880249 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL29012251 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL21064501 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL4641243 | 0.58 | — | — | |
| SCHEMBL23048858 | 0.57 | — | — | |
| SCHEMBL22576558 | 0.57 | CA1 (0.41) | — | |
| SCHEMBL18205746 | 0.57 | — | — | |
| SCHEMBL14844281 | 0.57 | — | — | |
| SCHEMBL7933931 | 0.57 | — | — | |
| SCHEMBL12334971 | 0.57 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3653614-A1 | TETRAHYDRONAPHTHO[1,2-B]FURAN-2(3H)-ONE DERIVATIVE AND PREPARATION AND USE THEREOF IN PHARMACEUTICALS | Shanghai Qingdong Biotechnology Co., Ltd (CN) | 2020-05-20 | — | — | EP | disclosed |