⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23528 | 0.78 | — | — | |
| SCHEMBL19117721 | 0.78 | TTR (0.40) | — | |
| SCHEMBL676061 | 0.75 | EPHX1 (0.33) | — | |
| SCHEMBL14029512 | 0.75 | EPHX1 (0.38) | — | |
| SCHEMBL1547387 | 0.75 | — | — | |
| SCHEMBL12238745 | 0.75 | — | — | |
| SCHEMBL25368931 | 0.73 | — | — | |
| SCHEMBL3439645 | 0.71 | EPHX1 (0.42) | — | |
| SCHEMBL3245655 | 0.70 | — | — | |
| SCHEMBL12682254 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9714266-B2 | Estra-1,3,5(10),16-tetraene-3-carboxamides for inhibition of 17.beta.-hydroxysteroid dehydrogenase (AKR1C3) | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-07-25 | — | — | US | disclosed |
| US-20160024142-A1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | US | disclosed |