⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4018720 | 0.81 | KDM6B (0.43) | — | |
| SCHEMBL291422 | 0.69 | — | — | |
| SCHEMBL11125721 | 0.69 | — | — | |
| SCHEMBL27493448 | 0.69 | KDM6B (0.64) | — | |
| SCHEMBL1401727 | 0.67 | KDM6B (0.43) | — | |
| SCHEMBL6139814 | 0.67 | — | — | |
| SCHEMBL559424 | 0.65 | — | — | |
| SCHEMBL28325720 | 0.65 | — | — | |
| SCHEMBL156391 | 0.65 | — | — | |
| SCHEMBL22267753 | 0.64 | KDM6B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0323514-A1 | PROCESS FOR PREPARING ISOCYANATE COMPOUNDS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1989-07-12 | — | — | EP | claimed |
| US-5914428-A | REACTING DIMETHYL CARBONATE WITH AN ALIPHATIC DIAMINE IN PRESENCE OF AN ALKALI METAL OR COMPOUND AS CARBAMYLATION CATALYST TO FORM CARBAMATE, THERMALLY DECOMPOSING THE PRODUCT IN HIGH BOILING SOLVENT TO PRODUCE ALIPHATIC DIISOCYANATE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-06-22 | — | — | US | disclosed |
| US-5789614-A | Process for preparation of aliphatic diisocyanate compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| US-5773643-A | Process for preparation of isocyanate compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0323514-B1 | PROCESS FOR PREPARING ISOCYANATE COMPOUNDS | DAICEL CHEM (JP) | 1994-07-13 | — | — | EP | disclosed |
| EP-0323514-A1 | PROCESS FOR PREPARING ISOCYANATE COMPOUNDS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1989-07-12 | — | — | EP | disclosed |