⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9960870 | 0.81 | CCNC (0.33) | — | |
| SCHEMBL2457029 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL9961062 | 0.70 | HTT (0.41) | — | |
| SCHEMBL9960813 | 0.68 | MYC (0.44) | — | |
| SCHEMBL16144892 | 0.66 | KDM4E (0.32) | — | |
| SCHEMBL9960700 | 0.66 | NOTUM (0.34) | — | |
| SCHEMBL16144896 | 0.66 | MAPT (0.31) | — | |
| SCHEMBL9960570 | 0.65 | G6PD (0.44) | — | |
| SCHEMBL9960652 | 0.65 | HNF4A (0.49) | — | |
| SCHEMBL9960810 | 0.65 | NR4A1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2858629-A1 | A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE | Leo Laboratories Limited (IE) | 2015-04-15 | — | — | EP | disclosed |
| WO-2013182688-A1 | A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE | LEO LABORATORIES LIMITED (IE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2655323-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012083953-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO PHARMA A/S (DK) | 2012-06-28 | — | — | WO | disclosed |