⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008934 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL16020229 | 0.73 | POLB (0.36) | — | |
| SCHEMBL16020230 | 0.71 | KMT2A (0.43) | — | |
| SCHEMBL13829239 | 0.71 | — | — | |
| SCHEMBL5432254 | 0.70 | HSD11B1 (0.33) | — | |
| SCHEMBL16020240 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL28001657 | 0.69 | HSD11B1 (0.32) | — | |
| SCHEMBL26932405 | 0.69 | — | — | |
| SCHEMBL16020236 | 0.69 | ADRB2 (0.38) | — | |
| SCHEMBL19961443 | 0.69 | ADRB2 (0.35) | — |
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-20180085019-A1 | ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-29 | — | — | US | disclosed |