⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533187 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL815622 | 0.81 | CXCR5 (0.31) | — | |
| SCHEMBL8439918 | 0.81 | — | — | |
| SCHEMBL815923 | 0.78 | NR1I2 (0.36) | — | |
| SCHEMBL815246 | 0.77 | NR1I2 (0.42) | — | |
| SCHEMBL2698493 | 0.76 | TAAR1 (0.30) | — | |
| SCHEMBL815762 | 0.76 | ESR1 (0.32) | — | |
| SCHEMBL10469553 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL9465771 | 0.75 | LMNA (0.37) | — | |
| SCHEMBL983279 | 0.75 | NR1I2 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632929-A1 | N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE | BASF SE (DE) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012056419-A1 | N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE | BASF SE (DE) | 2012-05-03 | — | — | WO | disclosed |
| US-20120108819-A1 | N-Heterocyclic Carbene Complexes, Their Preparation And Use | BASF SE (DE) | 2012-05-03 | — | — | US | disclosed |