⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9656709 | 0.79 | NR1H2 (0.41) | — | |
| SCHEMBL5737687 | 0.72 | KDM4E (0.47) | — | |
| SCHEMBL5737834 | 0.72 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5738007 | 0.71 | LMNA (0.43) | — | |
| Hydrochloric Acid SCHEMBL5738508 | 0.71 | KDM4E (0.46) | — | |
| SCHEMBL10946243 | 0.71 | ACHE (0.33) | — | |
| SCHEMBL7863483 | 0.70 | ACHE (0.36) | — | |
| SCHEMBL7337040 | 0.69 | SLC2A1 (0.36) | — | |
| SCHEMBL9358733 | 0.66 | ACHE (0.36) | — | |
| SCHEMBL13621352 | 0.65 | ACHE (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1432717-B1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | MOLNAR JOZSEF (HU) | 2006-03-01 | — | — | EP | claimed |
| EP-1432717-A1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | Molnar, Jozsef (HU) | 2004-06-30 | — | — | EP | claimed |
| WO-2002040490-A1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | VARGA ANDRAS (DE) | 2002-05-23 | — | — | WO | claimed |
| EP-1432717-B1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | MOLNAR JOZSEF (HU) | 2006-03-01 | — | — | EP | disclosed |
| EP-1432717-A1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | Molnar, Jozsef (HU) | 2004-06-30 | — | — | EP | disclosed |
| WO-2002040490-A1 | SUBSTITUTED DISILOXANES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR REVERSAL OF MULTIDRUG RESISTANCE (MDR) | VARGA ANDRAS (DE) | 2002-05-23 | — | — | WO | disclosed |