⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20269787 | 1.00 | — | — | |
| SCHEMBL20269785 | 1.00 | — | — | |
| SCHEMBL15286851 | 0.84 | CYP11B1 (0.32) | — | |
| SCHEMBL20269397 | 0.83 | CYP19A1 (0.33) | — | |
| SCHEMBL29944706 | 0.83 | CYP19A1 (0.33) | — | |
| SCHEMBL20269395 | 0.83 | CYP19A1 (0.33) | — | |
| SCHEMBL16738832 | 0.82 | S1PR1 (0.33) | — | |
| SCHEMBL29944707 | 0.82 | S1PR1 (0.33) | — | |
| SCHEMBL1873780 | 0.81 | GID4 (0.35) | — | |
| SCHEMBL30113715 | 0.81 | GID4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3555076-B1 | NOVEL PHENYL PROPIONIC ACID DERIVATIVES AND USES THEREOF | IL DONG PHARMA (KR) | 2023-04-05 | — | — | EP | disclosed |
| CN-110049984-B | Phenylpropionic acid derivatives and use thereof | 日东制药株式会社 | 2022-11-15 | — | — | CN | disclosed |