⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7967225 | 0.80 | TAAR1 (0.42) | — | |
| Benzene SCHEMBL1228250 | 0.76 | — | — | |
| SCHEMBL3975001 | 0.76 | — | — | |
| SCHEMBL63975 | 0.76 | — | — | |
| Biphenyl SCHEMBL21932883 | 0.73 | ALDH1A1 (0.69) | — | |
| Water SCHEMBL16713419 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4912905 | 0.68 | — | — | |
| Benzene SCHEMBL8038413 | 0.68 | — | — | |
| Water SCHEMBL8782173 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5491083 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083728-A | Diaryl the synthetic method of Diazepines | 洛阳师范学院 | 2016-11-09 | — | — | CN | disclosed |
| CN-106009664-A | COMPOSITIONS, COMPOSITES PREPARED THEREFROM, AND FILMS AND ELECTRONIC DEVICES INCLUDING THE SAME | 三星电子株式会社 | 2016-10-12 | — | — | CN | disclosed |