⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9562483 | 0.88 | — | — | |
| SCHEMBL374862 | 0.88 | — | — | |
| SCHEMBL8520015 | 0.84 | — | — | |
| SCHEMBL14036311 | 0.82 | — | — | |
| Propane SCHEMBL28140436 | 0.78 | — | — | |
| SCHEMBL11460874 | 0.78 | — | — | |
| SCHEMBL1069199 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL20462167 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081630 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL43488 | 0.74 | ALDH1A1 (0.31) | — |
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-20190151648-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2019-05-23 | — | — | US | disclosed |