⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10514508 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL22273256 | 0.69 | — | — | |
| SCHEMBL12256507 | 0.69 | — | — | |
| SCHEMBL2940586 | 0.69 | — | — | |
| SCHEMBL9011785 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL22383719 | 0.67 | — | — | |
| SCHEMBL18293029 | 0.66 | — | — | |
| SCHEMBL83729 | 0.66 | — | — | |
| SCHEMBL16597276 | 0.64 | — | — | |
| SCHEMBL17491835 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10183015-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES LLC (US) | 2019-01-22 | — | — | US | disclosed |
| US-20180028518-A1 | Heterocyclic Compounds and Methods of Use | MEDIVATION TECHNOLOGIES LLC | 2018-02-01 | — | — | US | disclosed |