⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6629045 | 1.00 | — | — | |
| SCHEMBL19841977 | 0.76 | CA1 (0.56) | — | |
| SCHEMBL14782113 | 0.75 | — | — | |
| SCHEMBL11619916 | 0.74 | — | — | |
| SCHEMBL14431373 | 0.74 | — | — | |
| SCHEMBL14074335 | 0.74 | — | — | |
| SCHEMBL25959569 | 0.74 | — | — | |
| SCHEMBL4982998 | 0.74 | — | — | |
| SCHEMBL12910052 | 0.71 | CHRM4 (0.34) | — | |
| SCHEMBL15925109 | 0.71 | HTR2A (0.31) | — |
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-2011149841-A1 | SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-01 | — | — | WO | disclosed |