⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28268579 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL28013917 | 0.80 | HPGD (0.30) | — | |
| SCHEMBL10191821 | 0.77 | HCAR2 (0.33) | — | |
| SCHEMBL28013858 | 0.76 | NPC1 (0.47) | — | |
| SCHEMBL28013861 | 0.76 | ALPL (0.40) | — | |
| SCHEMBL28014533 | 0.74 | CYP2D6 (0.37) | — | |
| SCHEMBL27627222 | 0.72 | HCAR3 (0.30) | — | |
| SCHEMBL27736926 | 0.70 | PKM (0.30) | — | |
| SCHEMBL1206530 | 0.69 | DAO (0.38) | — | |
| SCHEMBL27800984 | 0.69 | HPGD (0.38) | — |
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-114105876-A | Method for preparing pyrazoxyfen-ethyl intermediate | 沈阳科创化学品有限公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-114105876-A | Method for preparing pyrazoxyfen-ethyl intermediate | 沈阳科创化学品有限公司 | 2022-03-01 | — | — | CN | disclosed |