⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10869 | 0.80 | — | — | |
| SCHEMBL5473091 | 0.80 | BRD4 (0.42) | — | |
| SCHEMBL3484158 | 0.78 | — | — | |
| Methane SCHEMBL21774706 | 0.78 | — | — | |
| SCHEMBL21051147 | 0.78 | — | — | |
| SCHEMBL722881 | 0.78 | — | — | |
| SCHEMBL21051154 | 0.78 | — | — | |
| Ethylene SCHEMBL15224389 | 0.78 | BRD4 (0.41) | — | |
| SCHEMBL3002873 | 0.78 | — | — | |
| Iodide SCHEMBL9456494 | 0.78 | BRD4 (0.41) | — |
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-2010033832-A2 | ESTRIOL FORMULATIONS | EVESTRA, INC. (US) | 2010-03-25 | — | — | WO | disclosed |