⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9960630 | 0.84 | — | — | |
| SCHEMBL9960582 | 0.82 | — | — | |
| SCHEMBL9960703 | 0.81 | HTT (0.30) | — | |
| SCHEMBL9960781 | 0.81 | — | — | |
| SCHEMBL9960716 | 0.78 | — | — | |
| SCHEMBL9960708 | 0.77 | KDM4E (0.38) | — | |
| SCHEMBL9960709 | 0.73 | HPGD (0.33) | — | |
| SCHEMBL9960640 | 0.73 | PTGS2 (0.33) | — | |
| SCHEMBL9960729 | 0.71 | — | — | |
| SCHEMBL16144875 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655323-B1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LTD (IE) | 2017-12-20 | — | — | EP | claimed |
| US-20170217910-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2017-08-03 | — | — | US | claimed |
| US-20150291551-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2015-10-15 | — | — | US | claimed |
| US-9102687-B2 | Ingenol-3-acylates III and ingenol-3-carbamates | LEO LABORATORIES LIMITED (IE) | 2015-08-11 | — | — | US | claimed |
| US-20140303150-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2014-10-09 | — | — | US | claimed |
| EP-2655323-B1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LTD (IE) | 2017-12-20 | — | — | EP | disclosed |
| US-20170217910-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2017-08-03 | — | — | US | disclosed |
| US-9708286-B2 | Ingenol-3-acylates III and ingenol-3-carbamates | LEO LABORATORIES LIMITED (IE) | 2017-07-18 | — | — | US | disclosed |
| US-20150291551-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2015-10-15 | — | — | US | disclosed |
| US-9102687-B2 | Ingenol-3-acylates III and ingenol-3-carbamates | LEO LABORATORIES LIMITED (IE) | 2015-08-11 | — | — | US | disclosed |
| US-20150133543-A1 | TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE | LEO LABORATORIES LIMITED (IE) | 2015-05-14 | — | — | US | disclosed |
| US-20140303150-A1 | INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES | LEO LABORATORIES LIMITED (IE) | 2014-10-09 | — | — | US | 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 |