⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6509519 | 0.81 | OPRM1 (0.36) | — | |
| SCHEMBL14085901 | 0.71 | EPHX1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7559104 | 0.71 | EPHX1 (0.32) | — | |
| SCHEMBL6512515 | 0.66 | SLC6A4 (0.31) | — | |
| SCHEMBL6506867 | 0.64 | EPHX1 (0.31) | — | |
| SCHEMBL23439149 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL18562128 | 0.63 | OPRM1 (0.40) | — | |
| SCHEMBL17438704 | 0.63 | OPRM1 (0.41) | — | |
| SCHEMBL6516176 | 0.63 | CYP1A2 (0.37) | — | |
| SCHEMBL31566589 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005047253-A1 | MELANOCORTIN RECEPTOR AGONISTS | LG LIFE SCIENCES LTD. (KR) | 2005-05-26 | — | — | WO | disclosed |