⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22280167 | 1.00 | — | — | |
| SCHEMBL11269864 | 0.77 | — | — | |
| SCHEMBL4784913 | 0.77 | — | — | |
| SCHEMBL27677607 | 0.76 | — | — | |
| SCHEMBL15710431 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL15711113 | 0.75 | TAS1R3 (0.40) | — | |
| SCHEMBL10407850 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL10407848 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL15710795 | 0.70 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11706106 | 0.69 | ALDH1A1 (0.35) | — |
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-7279489-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-10-09 | — | — | US | disclosed |