⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL10604368 | 1.00 | — | — | |
| SCHEMBL44073 | 0.91 | — | — | |
| Ether SCHEMBL10884068 | 0.89 | ALDH1A1 (0.30) | — | |
| Hydrazine SCHEMBL22444473 | 0.86 | — | — | |
| SCHEMBL3049897 | 0.84 | — | — | |
| Toluene SCHEMBL3468312 | 0.83 | KDM4E (0.33) | — | |
| Diphenylmethane SCHEMBL3468648 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL5668483 | 0.81 | — | — | |
| SCHEMBL6535623 | 0.81 | — | — | |
| SCHEMBL17743473 | 0.79 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1483235-B1 | PROCESS FOR THE PREPARATION OF ISOCYANATES | BASF SE (DE) | 2010-06-09 | — | — | EP | disclosed |
| EP-1831155-A1 | METHOD FOR THE REDUCTION OF CHLORINE-CONTAINING COMPONENTS IN ORGANIC ISOCYANATES | Lanxess Deutschland GmbH (DE) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006072360-A1 | METHOD FOR THE REDUCTION OF CHLORINE-CONTAINING COMPONENTS IN ORGANIC ISOCYANATES | LANXESS DEUTSCHLAND GMBH (DE) | 2006-07-13 | — | — | WO | disclosed |
| EP-1378529-B1 | Process for producing TDI-trimers having a low monomer content | BAYER MATERIALSCIENCE AG (DE) | 2006-03-29 | — | — | EP | disclosed |
| EP-1378530-B1 | Process for producing TDI trimers having a low monomer content | BAYER MATERIALSCIENCE AG (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-1046637-B1 | Process for the reduction of chlorine content of low molecular weight isocyanates | BAYER AG (DE) | 2004-01-14 | — | — | EP | disclosed |
| EP-1378530-A1 | Process for producing TDI trimers having a low monomer content | Bayer Aktiengesellschaft (DE) | 2004-01-07 | — | — | EP | disclosed |
| EP-1378529-A1 | Process for producing TDI-trimers having a low monomer content | Bayer Aktiengesellschaft (DE) | 2004-01-07 | — | — | EP | disclosed |
| EP-1046636-B1 | Process for the reduction of chlorine content of organic isocyanates | BAYER AG (DE) | 2004-01-02 | — | — | EP | disclosed |
| EP-1151991-B1 | Process for the production of organic monoisocyanates | BAYER AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| EP-1053998-B1 | Process for the purification of organic isocyanates | BAYER AG (DE) | 2003-04-09 | — | — | EP | disclosed |
| US-20020052466-A1 | Process for reducing the chlorine content of low molecular weight isocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | US | disclosed |
| EP-1151991-A1 | Process for the production of organic monoisocyanates | BAYER AG (DE) | 2001-11-07 | — | — | EP | disclosed |
| EP-1053998-A1 | Process for the purification of organic isocyanates | BAYER AG (DE) | 2000-11-22 | — | — | EP | disclosed |
| EP-1046637-A2 | Process for the reduction of chlorine content of low molecular weight isocyanates | BAYER AG (DE) | 2000-10-25 | — | — | EP | disclosed |
| EP-1046636-A2 | Process for the reduction of chlorine content of organic isocyanates | BAYER AG (DE) | 2000-10-25 | — | — | EP | disclosed |
| US-5739250-A | ONE STEP COPOLYMERIZATION WITHOUT ISOLATING THE INTERMEDIATE PREPOLYMER, CHAIN EXTENSION TO ELIMINATE VOLATILE MATERIAL | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |