⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15591672 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL27446710 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL29009611 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL27446180 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL27497784 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL29009616 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL15159800 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL6398657 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL27498119 | 0.80 | EPHX1 (0.42) | — | |
| SCHEMBL4566208 | 0.79 | SIGMAR1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018098367-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |
| CN-105732401-A | (Amide amino alkane) Metal compound, method of manufacturing metal-containing thin film using said metal compound | 宇部兴产株式会社 | 2016-07-06 | — | — | CN | disclosed |
| CN-105503618-A | (Amide amino alkane) metal compound, method of manufacturing metal-containing thin film using said metal compound | UBE INDUSTRIES | 2016-04-20 | — | — | CN | disclosed |
| CN-1137228-C | Waterborne traffic paints having improved fast dry characteristic and method of producing traffic markings therefrom | 罗姆和哈斯公司 | 2004-02-04 | — | — | CN | disclosed |
| CN-1168400-A | Waterborne traffic paints having improved fast dry characteristic and method of producing traffic markings therefrom | ROHM & HAAS (US) | 1997-12-24 | — | — | CN | disclosed |