⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13091336 | 0.87 | ALDH1A1 (0.54) | — | |
| SCHEMBL2912691 | 0.85 | — | — | |
| SCHEMBL2918925 | 0.82 | — | — | |
| SCHEMBL2920723 | 0.82 | MIF (0.63) | — | |
| SCHEMBL2922791 | 0.82 | — | — | |
| SCHEMBL8250520 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL3986303 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL7672155 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL5662697 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL7214876 | 0.78 | MIF (0.71) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100267784-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA | 2010-10-21 | — | — | US | disclosed |
| US-20100267784-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA | 2010-10-21 | — | — | US | disclosed |
| US-20100267784-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA | 2010-10-21 | — | — | US | disclosed |
| EP-2222653-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | Pulkkinen, Juha (FI) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009066009-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA (FI) | 2009-05-28 | — | — | WO | disclosed |