⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL71779 | 0.97 | — | — | |
| SCHEMBL1018939 | 0.97 | — | — | |
| SCHEMBL9720250 | 0.97 | — | — | |
| SCHEMBL9646 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL324840 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL209038 | 0.93 | — | — | |
| Bromide SCHEMBL9188572 | 0.93 | — | — | |
| SCHEMBL2287459 | 0.93 | — | — | |
| SCHEMBL10401525 | 0.93 | — | — | |
| SCHEMBL4279872 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6774239-B2 | SUCH AS N,N'-CARBONYLDIIMIDAZOLE VIA REACTING POTASSIUM IMIDAZOLIDE WITH PHOSGENE IN SOLVENT (TOLUENE) | BAYER AKTIENGESELLSCHAFT (DE) | 2004-08-10 | — | — | US | disclosed |
| US-20030013891-A1 | Process for the preparation of N,N'-carbonyldiazoles and azolide salts | LANXESS DEUTSCHLAND GMBH (DE) | 2003-01-16 | — | — | US | disclosed |
| US-6465658-B2 | REACTING AZOLIDE SALTS WITH PHOSGENE IN AN AROMATIC COMPOUND OR AN ETHER AS SOLVENT | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-15 | — | — | US | disclosed |
| US-20020111497-A1 | Process for the preparation of N,N'-carbonyldiazoles and azolide salts | LANXESS DEUTSCHLAND GMBH (DE) | 2002-08-15 | — | — | US | disclosed |