⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11880449 | 1.00 | — | — | |
| SCHEMBL352540 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL9351709 | 0.89 | — | — | |
| Pyrimidine SCHEMBL9848469 | 0.82 | — | — | |
| SCHEMBL11305352 | 0.78 | — | — | |
| Pyrazine SCHEMBL3273527 | 0.75 | — | — | |
| SCHEMBL13281 | 0.71 | — | — | |
| SCHEMBL15006 | 0.71 | — | — | |
| SCHEMBL21669 | 0.71 | — | — | |
| SCHEMBL4020 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7584629-B2 | a partial or complete condensation of phosgene, distillation or stripping in a column to remove the hydrogen chloride from the bottom product phosgene, scrub of the top product hydrogen chloride by a process solvent to absorb phosgene in process solvent; with an amine phosgene forms isocyanate | BASF AKTIENGESELLSCHAFT (DE) | 2009-09-08 | — | — | US | disclosed |
| US-20060123842-A1 | Separation of a substance mixture consisting of hydrogen chloride and phosgene | BASF AKTINEGESSELSCHAFT (DE) | 2006-06-15 | — | — | US | disclosed |
| US-6204381-B1 | REACTING A 1,3,5-TRIAZINE DERIVATIVE WITH A (ISO)CYANATE COMPOUND | CYTEC TECHNOLOGY CORP. | 2001-03-20 | — | — | US | disclosed |
| US-6197957-B1 | CATALYTIC REACTION WITH CARBON MONOXIDE | CYTEC TECHNOLOGY CORP. | 2001-03-06 | — | — | US | disclosed |
| EP-0649842-B1 | Process for preparing derivatives of (halo)amino compounds by carbonylation | CYTEC TECH CORP (US) | 1998-06-03 | — | — | EP | disclosed |
| EP-0649842-A1 | Process for preparing derivatives of (halo)amino compounds by carbonylation | CYTEC TECHNOLOGY CORP. (US) | 1995-04-26 | — | — | EP | disclosed |