⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2705095 | 0.75 | — | — | |
| SCHEMBL1461465 | 0.69 | — | — | |
| SCHEMBL1757419 | 0.67 | — | — | |
| SCHEMBL11007389 | 0.65 | — | — | |
| SCHEMBL11964226 | 0.65 | — | — | |
| Potassium SCHEMBL11007396 | 0.65 | — | — | |
| Propyne SCHEMBL28661020 | 0.61 | — | — | |
| SCHEMBL15866540 | 0.61 | — | — | |
| Methanesulfonamide SCHEMBL13758825 | 0.61 | — | — | |
| SCHEMBL19838028 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2958928-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | Bayer Pharma AG (DE) | 2018-03-28 | — | — | EP | claimed |
| EP-2742039-B1 | COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE | HOFFMANN LA ROCHE (CH) | 2015-09-16 | — | — | EP | claimed |