⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19104402 | 0.88 | ESR1 (0.32) | — | |
| SCHEMBL19104396 | 0.85 | — | — | |
| SCHEMBL19104408 | 0.84 | — | — | |
| SCHEMBL19104411 | 0.80 | — | — | |
| SCHEMBL17178628 | 0.71 | — | — | |
| SCHEMBL19104398 | 0.67 | ESR1 (0.31) | — | |
| SCHEMBL19104405 | 0.67 | ESR1 (0.33) | — | |
| SCHEMBL21151985 | 0.67 | — | — | |
| SCHEMBL19104406 | 0.66 | ESR1 (0.32) | — | |
| SCHEMBL24974317 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100216994-A1 | USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2010-08-26 | — | — | US | disclosed |