⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21660971 | 0.75 | — | — | |
| SCHEMBL21342603 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL25164038 | 0.69 | — | — | |
| SCHEMBL25818773 | 0.69 | — | — | |
| SCHEMBL17827407 | 0.68 | — | — | |
| SCHEMBL22837495 | 0.66 | TDP1 (0.33) | — | |
| SCHEMBL12837068 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL14507333 | 0.62 | KDM4E (0.30) | — | |
| SCHEMBL23473243 | 0.62 | — | — | |
| SCHEMBL22479303 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020028593-A1 | A METHOD OF TREATING ER MUTANT EXPRESSING BREAST CANCERS WITH SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) | Oncternal Therapeutics, Inc. (US) | 2020-02-06 | — | — | WO | disclosed |