⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24105285 | 0.73 | CDK5 (0.31) | — | |
| SCHEMBL15085657 | 0.72 | MAPT (0.32) | — | |
| SCHEMBL9820899 | 0.67 | ESR1 (0.34) | — | |
| SCHEMBL9820680 | 0.65 | ESR1 (0.33) | — | |
| SCHEMBL19628671 | 0.61 | — | — | |
| SCHEMBL2007777 | 0.61 | SCN1A (0.44) | — | |
| SCHEMBL24858998 | 0.60 | SCN1A (0.33) | — | |
| SCHEMBL1814570 | 0.59 | SCN1A (0.42) | — | |
| SCHEMBL11799479 | 0.59 | — | — | |
| SCHEMBL11771989 | 0.59 | ALDH1A1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170235224-A1 | PHOTOSENSITIVE RESIN COMPOSITION, COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT THEREOF | CHI MEI CORPORATION (TW) | 2017-08-17 | — | — | US | disclosed |