⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24850079 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL11794150 | 0.80 | HTR2A (0.32) | — | |
| SCHEMBL17252641 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL603451 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL15314156 | 0.76 | SLC22A1 (0.32) | — | |
| SCHEMBL24324108 | 0.76 | SLC22A1 (0.32) | — | |
| SCHEMBL8754626 | 0.74 | CYP2D6 (0.33) | — | |
| SCHEMBL20074403 | 0.72 | SLC22A1 (0.36) | — | |
| SCHEMBL23139655 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL21396378 | 0.69 | — | — |
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-3180332-B1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | EOLAS THERAPEUTICS INC (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020148349-A1 | VARIANTS OF ERYTHROFERRONE AND THEIR USE | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2020-07-23 | — | — | WO | disclosed |