⚠ 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL25204825 | 0.85 | ACHE (0.39) | — | |
| SCHEMBL27556658 | 0.84 | — | — | |
| Benzene SCHEMBL28186962 | 0.80 | — | — | |
| Isopropylbenzene SCHEMBL28347822 | 0.80 | CYP2D6 (0.32) | — | |
| Carbon Monoxide SCHEMBL2517309 | 0.79 | — | — | |
| Carbon Monoxide SCHEMBL2514732 | 0.79 | — | — | |
| Carbon Monoxide SCHEMBL1596790 | 0.79 | — | — | |
| Formaldehyde SCHEMBL18185217 | 0.79 | — | — | |
| Formic Acid SCHEMBL28091969 | 0.75 | — | — | |
| Naphthalene SCHEMBL28401699 | 0.73 | CYP2A6 (0.32) | — |
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-113383030-A | Cationically curable composition | 3M创新有限公司 | 2021-09-10 | — | — | CN | disclosed |