⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL87764 | 0.78 | — | — | |
| SCHEMBL720926 | 0.76 | — | — | |
| SCHEMBL5438295 | 0.76 | — | — | |
| Bromide SCHEMBL9820146 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL10636902 | 0.76 | — | — | |
| SCHEMBL325355 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL3871104 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL17448127 | 0.74 | CA12 (0.35) | — | |
| Hydrochloric Acid SCHEMBL16568824 | 0.73 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11320260 | 0.72 | ALDH1A1 (0.35) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1463793-B1 | MIXTURES OF QUATERNARY COMPOUNDS | CRODA INC (US) | 2016-10-19 | — | — | EP | disclosed |
| EP-1463794-B1 | IMMIDAZOLINE QUATS | CRODA INC (US) | 2009-06-17 | — | — | EP | disclosed |
| US-20060128601-A1 | Imidazoline quats | CRODA, INC. (US) | 2006-06-15 | — | — | US | disclosed |
| EP-1463794-A4 | IMMIDAZOLINE QUATS | CRODA INC (US) | 2005-11-16 | — | — | EP | disclosed |
| US-6953773-B2 | Mixtures of imidazoline quaternary ammonium and alkyl quaternary ammonium compounds | CRODA, INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-6838419-B2 | Mixtures of quaternary compounds | CRODA, INC. (US) | 2005-01-04 | — | — | US | disclosed |
| US-20040220062-A1 | Imidazoline quats | CRODA, INC. | 2004-11-04 | — | — | US | disclosed |
| EP-1463794-A1 | IMMIDAZOLINE QUATS | Croda, Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| EP-1463793-A1 | MIXTURES OF QUATERNARY COMPOUNDS | Croda, Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| US-20040167057-A1 | Mixtures of quaternary compounds | CRODA, INC. | 2004-08-26 | — | — | US | disclosed |
| US-20040138088-A1 | Immidazoline quats | CRODA, INC. | 2004-07-15 | — | — | US | disclosed |
| US-20030195137-A1 | Mixtures of quaternary compounds | CRODA, INC. | 2003-10-16 | — | — | US | disclosed |
| US-20030186834-A1 | Immidazoline quats | CRODA, INC. | 2003-10-02 | — | — | US | disclosed |
| WO-2003060046-A1 | MIXTURES OF QUATERNARY COMPOUNDS | CRODA, INC. (US) | 2003-07-24 | — | — | WO | disclosed |
| WO-2003060048-A1 | IMMIDAZOLINE QUATS | CRODA, INC. (US) | 2003-07-24 | — | — | WO | disclosed |
| US-5675019-A | Process for making piloloctam and derivatives thereof | ALLERGAN (US) | 1997-10-07 | — | — | US | disclosed |
| US-4526694-A | Acid-containing product for the treatment of moist wash in the mechanical clothes drier | HENKEL KOMMANDITGESELLSCHAFT (HENKEL KGAA) (DE) | 1985-07-02 | — | — | US | disclosed |
| US-4183981-A | FOR TUMBLE DRYING IN MECHANICAL DRIER | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-01-15 | — | — | US | disclosed |
| US-4167594-A | AFTERTREATMENT, MULTILAYER BAG COMPRISING AN OPEN-CELLED ABSORBENT LAYER AND A PLASTIC FILM LAYER | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN(HENKEL KGAA) (DE) | 1979-09-11 | — | — | US | disclosed |
| US-4139475-A | Laundry finishing treatment agent package and method | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1979-02-13 | — | — | US | disclosed |