⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3376010 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL3220960 | 0.76 | TDP1 (0.42) | — | |
| SCHEMBL11663960 | 0.74 | HDAC8 (0.34) | — | |
| SCHEMBL2810631 | 0.73 | TRPV4 (0.33) | — | |
| SCHEMBL17787791 | 0.73 | EGFR (0.32) | — | |
| SCHEMBL15452416 | 0.73 | CYP3A4 (0.46) | — | |
| SCHEMBL2807960 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL2814231 | 0.73 | ACHE (0.43) | — | |
| SCHEMBL9939598 | 0.73 | ACHE (0.35) | — | |
| SCHEMBL7932663 | 0.72 | MAPT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020039094-A1 | PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |
| WO-2020039092-A2 | NOVEL AROMATIC MOLECULES | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |