⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21325907 | 0.88 | LMNA (0.37) | — | |
| SCHEMBL25598851 | 0.87 | — | — | |
| SCHEMBL26414903 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL18672981 | 0.77 | — | — | |
| SCHEMBL17269589 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL26289547 | 0.77 | — | — | |
| SCHEMBL14161192 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL19017541 | 0.77 | LMNA (0.37) | — | |
| SCHEMBL17804050 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL8344137 | 0.75 | — | — |
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-9624161-B2 | Estrogen receptor ligands and methods of use thereof | GTX, INC. (US) | 2017-04-18 | — | — | US | disclosed |
| US-9604910-B2 | Composition of 5-nitrobenzoate derivatives as anti-metastatic agent that inhibits tumor cell-induced platelet aggregation | CHANG GUNG UNIVERSITY (TW) | 2017-03-28 | — | — | US | disclosed |