⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2562820 | 0.86 | — | — | |
| SCHEMBL25306 | 0.65 | — | — | |
| SCHEMBL11866818 | 0.57 | — | — | |
| SCHEMBL1583301 | 0.57 | — | — | |
| SCHEMBL8706212 | 0.57 | — | — | |
| SCHEMBL28239024 | 0.55 | TSHR (0.35) | — | |
| Carbon Monoxide SCHEMBL265472 | 0.52 | — | — | |
| Carbon Monoxide SCHEMBL669141 | 0.52 | — | — | |
| Carbon Monoxide SCHEMBL7942941 | 0.52 | — | — | |
| Isopropyl Alcohol SCHEMBL8387720 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6888002-B2 | Transition metal complexes with diaminocarbene ligands and their use in reactions catalyzed by transition metals | BAYER AKTIENGESELLSCHAFT (DE) | 2005-05-03 | — | — | US | disclosed |
| US-20030119660-A1 | Novel transition metal complexes with diaminocarbene ligands and their use in reactions catalyzed by transition metals | LANXESS DEUTSCHLAND GMBH (DE) | 2003-06-26 | — | — | US | disclosed |