⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24290022 | 0.86 | — | — | |
| SCHEMBL20156693 | 0.72 | MAPT (0.30) | — | |
| SCHEMBL21081627 | 0.70 | — | — | |
| SCHEMBL23181653 | 0.67 | — | — | |
| SCHEMBL3604551 | 0.64 | — | — | |
| SCHEMBL19266466 | 0.63 | HDAC4 (0.30) | — | |
| SCHEMBL11223740 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL20365809 | 0.62 | — | — | |
| SCHEMBL125452 | 0.62 | — | — | |
| SCHEMBL22906206 | 0.60 | — | — |
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-2017182495-A1 | INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY | ASTRAZENECA AB (SE) | 2017-10-26 | — | — | WO | disclosed |