⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Sulfoxide SCHEMBL177271 | 0.84 | — | — | |
| Dimethyl Sulfoxide SCHEMBL8483068 | 0.84 | — | — | |
| Chloromethane SCHEMBL28080031 | 0.83 | CA2 (0.32) | — | |
| SCHEMBL52 | 0.83 | CA2 (0.35) | — | |
| SCHEMBL27623481 | 0.83 | CA2 (0.35) | — | |
| SCHEMBL20135729 | 0.80 | CA2 (0.33) | — | |
| SCHEMBL11001716 | 0.80 | CA2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8958370 | 0.80 | CA2 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL2051538 | 0.80 | CA2 (0.33) | — | |
| SCHEMBL3945654 | 0.80 | CA2 (0.33) | — |
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-103420962-B | 3-aryl glutaric acid monoester class compound, Preparation Method And The Use | SICHUAN UNIVERSITY (CN) | 2015-08-19 | — | — | CN | disclosed |