⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269809 | 0.84 | — | — | |
| SCHEMBL27410255 | 0.82 | ESR1 (0.38) | — | |
| SCHEMBL63504 | 0.81 | ESR1 (0.39) | — | |
| SCHEMBL674423 | 0.81 | ESR1 (0.39) | — | |
| SCHEMBL44806 | 0.81 | ESR1 (0.39) | — | |
| SCHEMBL674422 | 0.81 | ESR1 (0.39) | — | |
| SCHEMBL19916024 | 0.80 | ESR1 (0.41) | — | |
| SCHEMBL27687217 | 0.77 | — | — | |
| SCHEMBL1895624 | 0.76 | ESR2 (0.45) | — | |
| SCHEMBL25337489 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011143669-A2 | COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS | DANA-FARBER CANCER INSTITUTE, INC (US) | 2011-11-17 | — | — | WO | disclosed |