⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5702180 | 0.78 | CA1 (0.42) | — | |
| SCHEMBL9070226 | 0.77 | CA2 (0.44) | — | |
| SCHEMBL3646279 | 0.77 | CA2 (0.44) | — | |
| SCHEMBL21819966 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL28738603 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL786625 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL28052670 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL30294119 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL30720031 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL29411106 | 0.70 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114520334-A | Fluorine-containing composite binder for silicon cathode of lithium ion battery and preparation method thereof | 浙江大学 | 2022-05-20 | — | — | CN | disclosed |
| US-20120225962-A1 | MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF | MONASH UNIVERSITY (AU) | 2012-09-06 | — | — | US | disclosed |
| EP-2462172-A1 | MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF | Monash University (AU) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011014923-A1 | MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF | MONASH UNIVERSITY (AU) | 2011-02-10 | — | — | WO | disclosed |