⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8994424 | 0.86 | — | — | |
| SCHEMBL278013 | 0.83 | GSTP1 (0.42) | — | |
| SCHEMBL743966 | 0.77 | — | — | |
| SCHEMBL3132479 | 0.77 | — | — | |
| SCHEMBL13743414 | 0.77 | — | — | |
| SCHEMBL10684955 | 0.77 | — | — | |
| SCHEMBL1237584 | 0.74 | GSTP1 (0.46) | — | |
| SCHEMBL28509284 | 0.72 | GSTP1 (0.41) | — | |
| SCHEMBL3267931 | 0.72 | GSTP1 (0.45) | — | |
| SCHEMBL11211634 | 0.72 | GSTP1 (0.45) | — |
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-2970562-A1 | METHOD FOR PRODUCING TDI-TRIMERISATES WITH HIGH PURITY | Covestro Deutschland AG (DE) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014139879-A1 | METHOD FOR PRODUCING TDI-TRIMERISATES WITH HIGH PURITY | BAYER MATERIALSCIENCE AG (DE) | 2014-09-18 | — | — | WO | disclosed |
| US-8030522-B2 | Process for the production of toluene diisocyanate | BAYER MATERIALSCIENCE LLC (US) | 2011-10-04 | — | — | US | disclosed |
| EP-1864969-B1 | Process for the production of the toluene diisocyanate | BAYER MATERIALSCIENCE AG (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-20070287857-A1 | Process for the production of toluene diisocyanate | COVESTRO DEUTSCHLAND AG (DE) | 2007-12-13 | — | — | US | disclosed |
| EP-1864969-A1 | Process for the production of the toluene diisocyanate | Bayer MaterialScience AG (DE) | 2007-12-12 | — | — | EP | disclosed |