⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50138 | 0.72 | — | — | |
| SCHEMBL5694464 | 0.65 | — | — | |
| SCHEMBL5382199 | 0.61 | — | — | |
| SCHEMBL6974171 | 0.58 | — | — | |
| SCHEMBL14775712 | 0.56 | — | — | |
| SCHEMBL22887197 | 0.43 | ALOX15 (0.33) | — | |
| SCHEMBL3733761 | 0.43 | — | — | |
| SCHEMBL29525411 | 0.41 | KDM4E (0.40) | — | |
| SCHEMBL29525891 | 0.41 | KDM4E (0.40) | — | |
| SCHEMBL22100500 | 0.40 | — | — |
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
Appears in 6822 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12637535-B2 | Non-ionic hydrophilized polyisocyanates having a very low monomer content | COVESTRO DEUTSCHLAND AG (DE) | 2026-05-26 | — | — | US | claimed |
| US-12630662-B2 | Distillation of polyisocyanates | COVESTRO DEUTSCHLAND AG (DE) | 2026-05-19 | — | — | US | claimed |
| CN-119161559-B | Polyisocyanate composition and preparation method and application thereof | 万华化学（宁波）有限公司 | 2026-05-19 | — | — | CN | claimed |
| US-12630667-B2 | Modified polyisocyanate | COVESTRO DEUTSCHLAND AG (DE) | 2026-05-19 | — | — | US | claimed |
| EP-4114884-B1 | HIGH TEMPERATURE CROSS-LINKING DISPERSION | COVESTRO DEUTSCHLAND AG (DE) | 2026-05-13 | — | — | EP | claimed |
| EP-4731693-A1 | POLYISOCYANATE COMPOSITION | Covestro Deutschland AG (DE) | 2026-04-29 | — | — | EP | claimed |
| US-12612486-B2 | High-temperature cross-linking dispersion | COVESTRO DEUTSCHLAND AG (DE) | 2026-04-28 | — | — | US | claimed |
| US-20260103558-A1 | POLYOL-CONTAINING COMPOSITION, AND POLYURETHANE AND AQUEOUS POLYURETHANE OBTAINED USING SAME AS STARTING MATERIAL | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2026-04-16 | — | — | US | claimed |
| EP-4190832-B1 | POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATED SUBSTRATE | ASAHI CHEMICAL IND (JP) | 2026-04-08 | — | — | EP | claimed |
| EP-3309189-B1 | POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL | MITSUI CHEMICALS INC (JP) | 2026-03-04 | — | — | EP | claimed |
| US-20020007036-A1 | High-functionality polyisocyanates | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-17 | — | — | US | claimed |
| EP-0849268-B1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 2001-10-10 | — | — | EP | claimed |
| US-20010025096-A1 | Polyisocyanates | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-27 | — | — | US | claimed |
| CN-1312329-A | Polyiso-isocyanate mixture containing acylcarbamido | BAYER AG (DE) | 2001-09-12 | — | — | CN | claimed |
| EP-0841088-B1 | Microcapsules obtained from imino-oxa-diazindione polyisocyanate | BAYER AG (DE) | 2001-05-30 | — | — | EP | claimed |
| US-6107484-A | BY CATALYTICALLY TRIMERIZING A STARTING ISOCYANATE IN THE PRESENCE OF QUATERNARY AMMONIUM AND PHOSPHONIUM FLUORIDE TRIMERIZATION CATALYSTS; CATALYSTS ARE IN UNSOLVATED FORM, MIXED WITH SPECIFIED SOLVATING AGENTS OR MIXED WITH WATER | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-22 | — | — | US | claimed |
| US-6100326-A | HOMOGENEOUSLY DISPERSING 4-ISOCYANATOMETHYLOCTANE 1,8-DIISOCYANATE IN WATER WITHOUT A HYDROPHILIC AGENT FOR FORMING A SOLVENT-FREE LACQUERS AND COATING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-08 | — | — | US | claimed |
| US-6090939-A | TRIMERIZING AN ALIPHATIC POLYISOCYANATE IN PRESENCE OF A QUATERNARY PHOSPHONIUM POLYFLUORIDE CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-18 | — | — | US | claimed |
| US-5882544-A | Polycyclic iminooxadiazinediones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-16 | — | — | US | claimed |
| US-5717091-A | CROSSLINKED HARD COATING | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-10 | — | — | US | claimed |