⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74039 | 0.80 | — | — | |
| SCHEMBL30876013 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL74284 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL678682 | 0.77 | — | — | |
| SCHEMBL28100720 | 0.76 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL28274801 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL17130467 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL667630 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL167149 | 0.74 | — | — | |
| SCHEMBL24804336 | 0.73 | TSHR (0.39) | — |
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-110770232-A | Herbicidally active 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofurancarboxylic acids and esters | 拜耳公司 | 2020-02-07 | — | — | CN | disclosed |