⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10824974 | 0.85 | — | — | |
| SCHEMBL8817763 | 0.84 | GNAI3 (0.35) | — | |
| SCHEMBL10607764 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL20168209 | 0.81 | KMT2A (0.40) | — | |
| SCHEMBL19717818 | 0.80 | — | — | |
| SCHEMBL18705871 | 0.77 | GNAI3 (0.30) | — | |
| SCHEMBL18705869 | 0.77 | GNAI3 (0.30) | — | |
| SCHEMBL27151672 | 0.77 | GNAI3 (0.30) | — | |
| SCHEMBL29991013 | 0.76 | CA2 (0.33) | — | |
| SCHEMBL1502938 | 0.76 | SOS1 (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 |
|---|---|---|---|---|---|---|---|
| CN-111433577-A | Temperature detection label and article management device using same | 株式会社日立制作所 | 2020-07-17 | — | — | CN | disclosed |