⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL894916 | 0.83 | — | — | |
| SCHEMBL51408 | 0.83 | — | — | |
| Water SCHEMBL15210122 | 0.81 | ALDH1A1 (0.41) | — | |
| Water SCHEMBL3454746 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL28562323 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL11306795 | 0.79 | ALDH1A1 (0.33) | — | |
| Dimethylamine SCHEMBL28925370 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL25159076 | 0.74 | CHRNA4 (0.30) | — | |
| SCHEMBL22281760 | 0.74 | CHRNA4 (0.30) | — | |
| SCHEMBL12775075 | 0.71 | CHRNA4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114574179-B | Pressure response type consolidation plugging agent and preparation method and application thereof | 中国石油天然气集团有限公司 | 2023-09-26 | — | — | CN | disclosed |
| EP-2173170-A2 | FUSED HETEROCYCLES | Sepracor Inc. (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009020814-A2 | FUSED HETEROCYCLES | SEPRACOR INC. (US) | 2009-02-12 | — | — | WO | disclosed |
| EP-2014735-A2 | POLYMER ANISOTROPIC ELECTROCONDUCTIVE GLUING MATERIAL AND A GLUING METHOD | Koltsova, Anastasia Adrianovna (RU) | 2009-01-14 | — | — | EP | disclosed |
| WO-1998000750-A1 | PROCESS FOR PRODUCING LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WITH THE USE OF THE SAME | HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) | 1998-01-08 | — | — | WO | disclosed |
| US-5176744-A | Crystallization inhibition | MICROELECTRONICS COMPUTER & TECHNOLOGY CORP. (US) | 1993-01-05 | — | — | US | disclosed |