⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263814 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL3797886 | 0.78 | NOS2 (0.38) | — | |
| SCHEMBL6129163 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL28211164 | 0.73 | TYR (0.47) | — | |
| SCHEMBL1334753 | 0.73 | HTT (0.41) | — | |
| SCHEMBL43312 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL761605 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL61708 | 0.68 | — | — | |
| SCHEMBL28243768 | 0.68 | HTT (0.39) | — | |
| SCHEMBL3801326 | 0.68 | SKP2 (0.37) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1566478-A2 | Geotextile/polyurethane composites based on blocked isocyanate compositions | Bayer MaterialScience LLC (US) | 2005-08-24 | — | — | EP | disclosed |
| US-20050158131-A1 | Geotextile/polyurethane composites based on blocked isocyanate compositions | BAYER MATERIALSCIENCE LLC | 2005-07-21 | — | — | US | disclosed |
| US-6503980-B2 | Crosslinked elastomer | BAYER CORPORATION | 2003-01-07 | — | — | US | disclosed |
| US-20020132915-A1 | Liquid polyurethane plasticizers containing allophanate and/or carbodiimide and/or uretonimine groups | BAYER CORPORATION | 2002-09-19 | — | — | US | disclosed |
| EP-1217021-A1 | Liquid polyurethane plasticizers containing allophanate and/or carbodiimide and/or uretonimine groups | Bayer Corporation (US) | 2002-06-26 | — | — | EP | disclosed |
| US-6403702-B1 | REACTING AN ORGANIC POLYISOCYANATE, AN ISOCYANATE-REACTIVE POLYOL COMPONENT, AND AT LEAST ONE CHAIN EXTENDER AND/OR CROSSLINKING AGENT; NONMIGRATING | BAYER CORPORATION | 2002-06-11 | — | — | US | disclosed |
| US-6384130-B1 | PLASTICIZER COMPRISING REACTION PRODUCT OF ISOCYANATE PREPOLYMER WHICH COMPRISES REACTION PRODUCT OF DIISOCYANATE COMPONENT AND AT LEAST ONE HYDROPHOBIC POLYOL, AND MONOFUNCTIONAL ALCOHOL | BAYER CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-6355721-B1 | NON-MIGRATING; FLEXIBILITY, HARDNESS; ENDCAPPING | BAYER COPORATION | 2002-03-12 | — | — | US | disclosed |
| EP-1108735-A1 | Liquid, hydrophobic, non-migrating, non-functional polyurethane plasticizers | Bayer Corporation (US) | 2001-06-20 | — | — | EP | disclosed |
| EP-1106634-A1 | High molecular weight liquid, non-functional polyether polyurethane plasticizers | Bayer Corporation (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-1104786-A1 | Liquid ultra-high molecular weight polyurethane plasticizers | Bayer Corporation (US) | 2001-06-06 | — | — | EP | disclosed |
| EP-1104775-A1 | Diurethane plasticizer containing one-shot polyurethane cast elastomers | Bayer Corporation (US) | 2001-06-06 | — | — | EP | disclosed |
| US-6218462-B1 | REACTION PRODUCT OF MONO-OR DI-ISOCYANATE WITH MONOALCOHOL OR POLYALCOHOL PLUS STOPPER | BAYER CORPORATION | 2001-04-17 | — | — | US | disclosed |