⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL236468 | 0.88 | — | — | |
| SCHEMBL235643 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL21508603 | 0.82 | — | — | |
| SCHEMBL23245592 | 0.82 | DAO (0.33) | — | |
| Hydrochloric Acid SCHEMBL31747446 | 0.80 | GNAO1 (0.36) | — | |
| SCHEMBL3635697 | 0.75 | — | — | |
| SCHEMBL23245521 | 0.75 | — | — | |
| SCHEMBL23280287 | 0.72 | — | — | |
| SCHEMBL22048102 | 0.71 | MAOA (0.30) | — | |
| SCHEMBL387459 | 0.71 | CYP1A2 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023166172-A1 | SMALL MOLECULE MODULATORS OF IL-17 | LEO PHARMA A/S (DK) | 2023-09-07 | — | — | WO | disclosed |
| EP-1310494-B1 | PPAR (delta) ACTIVATORS | NIPPON CHEMIPHAR CO (JP) | 2012-01-25 | — | — | EP | disclosed |
| EP-0060769-B1 | TERNARY COMBUSTIBLE WITH ACETYLENE CONTENT IN THE LIQUID AND GASEOUS PHASES | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 1984-09-19 | — | — | EP | disclosed |