⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2696381 | 0.88 | KCNH2 (0.34) | — | |
| SCHEMBL185493 | 0.84 | KCNH2 (0.33) | — | |
| SCHEMBL455459 | 0.82 | — | — | |
| SCHEMBL27594745 | 0.78 | TDP1 (0.34) | — | |
| SCHEMBL28673123 | 0.78 | TAAR1 (0.45) | — | |
| SCHEMBL820116 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL818858 | 0.76 | GABRA1 (0.30) | — | |
| SCHEMBL820424 | 0.76 | KCNH2 (0.38) | — | |
| SCHEMBL27769168 | 0.75 | — | — | |
| SCHEMBL16439955 | 0.74 | — | — |
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 4 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 |
| US-4169106-A | Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines | COOPER LABORATORIES, INC. (US) | 1979-09-25 | — | — | US | disclosed |