⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179067 | 0.79 | — | — | |
| SCHEMBL31053064 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL30227166 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL2197189 | 0.71 | — | — | |
| SCHEMBL10006042 | 0.67 | — | — | |
| SCHEMBL10006043 | 0.67 | — | — | |
| SCHEMBL1335595 | 0.65 | — | — | |
| SCHEMBL11256911 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL11256896 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL12158699 | 0.62 | — | — |
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-20160318897-A1 | AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT | BASF SE (DE) | 2016-11-03 | — | — | US | disclosed |
| EP-3083596-A1 | AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT | BASF SE (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015091645-A1 | AZOLE COMPOUNDS CARRYING AN IMINE-DERIVED SUBSTITUENT | BASF SE (DE) | 2015-06-25 | — | — | WO | disclosed |
| EP-1202965-B1 | INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION | VERNALIS RES LTD (GB) | 2004-10-13 | — | — | EP | disclosed |
| US-6706750-B1 | USEFUL IN TREATING OBESITY AND OTHER DISORDERS | VERNALIS RESEARCH LIMITED (GB) | 2004-03-16 | — | — | US | disclosed |