⚠ 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 | |
|---|---|---|---|---|
| Iodomethane SCHEMBL27585919 | 0.81 | CHRM5 (0.58) | — | |
| SCHEMBL65062 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL291263 | 0.80 | — | — | |
| SCHEMBL13169682 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10492632 | 0.78 | CHRM5 (0.60) | — | |
| SCHEMBL27695724 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL5478047 | 0.78 | CHRM5 (0.60) | — | |
| SCHEMBL25814472 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL23236790 | 0.77 | DNM1 (0.47) | — | |
| SCHEMBL65758 | 0.77 | ALDH1A1 (0.50) | — |
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-20170168073-A1 | CHALCONE-UREA DERIVATIVES AS INSULIN SENSORS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-06-15 | — | — | US | disclosed |