⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11389339 | 0.83 | — | — | |
| SCHEMBL98091 | 0.77 | CYP1A2 (0.38) | — | |
| SCHEMBL7353897 | 0.77 | CYP1A2 (0.38) | — | |
| SCHEMBL3964139 | 0.69 | HSD11B1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL29904537 | 0.68 | HSD11B1 (0.38) | — | |
| SCHEMBL8095966 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL19012099 | 0.64 | CYP1A2 (0.37) | — | |
| SCHEMBL19439750 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL11634336 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL19011948 | 0.63 | KDM4E (0.43) | — |
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-2008007930-A9 | MELANOCORTIN RECEPTOR AGONISTS | LG LIFE SCIENCES LTD (KR) | 2009-04-02 | — | — | WO | disclosed |