⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10139 | 0.94 | — | — | |
| SCHEMBL28084851 | 0.94 | — | — | |
| SCHEMBL9660945 | 0.94 | — | — | |
| Hydrazine SCHEMBL402727 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL4395995 | 0.89 | — | — | |
| SCHEMBL27953107 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL8930399 | 0.89 | — | — | |
| Urea SCHEMBL11569843 | 0.89 | — | — | |
| Urea SCHEMBL28671970 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL27484731 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108147980-A | The method that diisocyanate is prepared by the phosgenation of diamines suspended substance | 科思创德国股份有限公司 | 2018-06-12 | — | — | CN | disclosed |
| CN-104640840-B | Method for producing diisocyanates by phosgenation of diamine suspensions | 科思创德国股份有限公司 | 2018-03-02 | — | — | CN | disclosed |
| EP-1890998-A2 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES OF THE DIPHENYLMETHANE SERIES | HUNTSMAN INTERNATIONAL LLC (US) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006130405-A2 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES OF THE DIPHENYLMETHANE SERIES | HUNTSMAN INTERNATIONAL LLC (US) | 2006-12-07 | — | — | WO | disclosed |