⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8791108 | 0.82 | — | — | |
| SCHEMBL10488035 | 0.81 | — | — | |
| SCHEMBL6895490 | 0.80 | TRPA1 (0.32) | — | |
| SCHEMBL2698337 | 0.80 | SLC6A2 (0.30) | — | |
| SCHEMBL454838 | 0.79 | — | — | |
| SCHEMBL25309170 | 0.78 | TRPA1 (0.32) | — | |
| SCHEMBL1071095 | 0.78 | TRPA1 (0.32) | — | |
| SCHEMBL20269672 | 0.78 | — | — | |
| SCHEMBL6135005 | 0.78 | — | — | |
| SCHEMBL136235 | 0.75 | GABRA1 (0.35) | — |
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 |