⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3685178 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL28847846 | 0.74 | — | — | |
| SCHEMBL11421949 | 0.73 | — | — | |
| SCHEMBL1254908 | 0.69 | — | — | |
| SCHEMBL36273 | 0.69 | — | — | |
| SCHEMBL18493127 | 0.67 | — | — | |
| SCHEMBL25364422 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL123788 | 0.67 | — | — | |
| SCHEMBL270156 | 0.67 | — | — | |
| SCHEMBL3375300 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2368948-A1 | Aqueous ink composition and printing process by ink jet recording system using the composition | Seiko Epson Corporation (JP) | 2011-09-28 | — | — | EP | disclosed |
| US-7695820-B2 | homo or comonomers selected from 1,6-dicarbonyl- 2,2,5,5- tetramethyl- hexane, 1,7-dicarbonyl- 2,2,6,6- tetramethyl- heptane, 1,9-dicarbonyl- 2,8-diethyl- 2,8-dimethyl- nonane and diols selected from 2,2-diethyl-1,3-propanediol, 2-ethyl-2-methyl-1,3-propanediol; lubrication for disk drive; heat resistanc | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-04-13 | — | — | US | disclosed |
| EP-2139936-A1 | ASYMMETRIC DIALDIMINE-CONTAINING POLYURETHANE COMPOSITION | Sika Technology AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| EP-2137137-A1 | DIALDIMINE, EMULSION CONTAINING DIALDIMINE, AND BICOMPONENT POLYURETHANE COMPOSITION, AND THE USE THEREOF | Sika Technology AG (CH) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008116902-A1 | ASYMMETRIC DIALDIMINE-CONTAINING POLYURETHANE COMPOSITION | SIKA TECHNOLOGY AG (CH) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008107475-A1 | DIALDIMINE, EMULSION CONTAINING DIALDIMINE, AND BICOMPONENT POLYURETHANE COMPOSITION, AND THE USE THEREOF | SIKA TECHNOLOGY AG (CH) | 2008-09-12 | — | — | WO | disclosed |
| US-20070111037-A1 | ALIPHATIC POLYESTERS AND LUBRICANTS CONTAINING THE POLYESTERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2007-05-17 | — | — | US | disclosed |