⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5542324 | 0.78 | — | — | |
| SCHEMBL1179222 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9096166 | 0.77 | ALDH1A1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL27309494 | 0.77 | ALDH1A1 (0.64) | — | |
| SCHEMBL23219687 | 0.76 | TBXAS1 (0.59) | — | |
| SCHEMBL20940098 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL609593 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL3793913 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL4682316 | 0.73 | — | — | |
| SCHEMBL7241523 | 0.73 | ALDH1A1 (0.72) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230382946-A1 | POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING | Changzhou University (CN) | 2023-11-30 | — | — | US | disclosed |
| US-20150126679-A1 | POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES | HENKEL AG & CO KGAA (DE) | 2015-05-07 | — | — | US | disclosed |
| US-20150126669-A1 | POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES | HENKEL AG & CO KGAA (DE) | 2015-05-07 | — | — | US | disclosed |
| US-8580726-B2 | Color-protecting washing or cleaning agent | HENKEL AG & CO. KGAA (DE) | 2013-11-12 | — | — | US | disclosed |
| EP-2323995-B1 | POLYMERIZABLE BENZOXAZINE COMPOSITIONS | HENKEL AG & CO KGAA (DE) | 2012-11-21 | — | — | EP | disclosed |
| US-8309066-B2 | Cationic benzoxazine (co)polymers | HENKEL AG & CO. KGAA (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20120058069-A1 | Cationic Benzoxazine (Co)Polymers | HENKEL AG & CO. KGAA (DE) | 2012-03-08 | — | — | US | disclosed |
| US-20120047664-A1 | COLOR-PROTECTING WASHING OR CLEANING AGENT | HENKEL AG & CO. KGAA (DE) | 2012-03-01 | — | — | US | disclosed |
| US-20120010202-A1 | POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES | HENKEL AG & CO. KGAA (DE) | 2012-01-12 | — | — | US | disclosed |
| US-20110189458-A1 | Polymerizable Compositions | SUDO ATSUSHI | 2011-08-04 | — | — | US | disclosed |
| EP-2323995-A1 | POLYMERIZABLE BENZOXAZINE COMPOSITIONS | Henkel AG & Co. KGaA (DE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010018198-A1 | POLYMERIZABLE BENZOXAZINE COMPOSITIONS | HENKEL AG & CO. KGAA (DE) | 2010-02-18 | — | — | WO | disclosed |