⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2916369 | 1.00 | — | — | |
| SCHEMBL2918154 | 0.94 | ESR1 (0.44) | — | |
| 5-(4-Hydroxybenzyl)-3-(3-Phenyl-Propyl)-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2917673 | 0.92 | — | — | |
| 5-Benzyl-3-[3-(4-Hydroxy-Phenyl)-Propyl]-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2923872 | 0.92 | — | — | |
| 3-(4-Hydroxy-Phenethyl)-5-Phenethyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2923098 | 0.89 | DRD2 (0.47) | — | |
| SCHEMBL2922526 | 0.88 | ESR1 (0.41) | — | |
| SCHEMBL2922253 | 0.86 | OPRM1 (0.46) | — | |
| SCHEMBL2916307 | 0.86 | — | — | |
| 5-(4-Hydroxy-Benzyl)-3-[3-(4-Hydroxy-Phenyl)-Propyl]-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2920888 | 0.86 | CALM1 (0.38) | — | |
| SCHEMBL2914076 | 0.85 | KEAP1 (0.42) | — |
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 9 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 | claimed |
| EP-2222653-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | Pulkkinen, Juha (FI) | 2010-09-01 | — | — | EP | claimed |
| WO-2009066009-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA (FI) | 2009-05-28 | — | — | WO | claimed |
| 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 |
| WO-2009066009-A1 | NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY | PULKKINEN JUHA (FI) | 2009-05-28 | — | — | WO | disclosed |