⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8054344 | 0.97 | FAAH (0.45) | — | |
| SCHEMBL427210 | 0.95 | FAAH (0.48) | — | |
| SCHEMBL8977229 | 0.95 | FAAH (0.48) | — | |
| SCHEMBL7105501 | 0.93 | FAAH (0.47) | — | |
| SCHEMBL8053344 | 0.92 | — | — | |
| SCHEMBL8977352 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL16424652 | 0.83 | EPHX1 (0.41) | — | |
| SCHEMBL7994505 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL8977378 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL7994816 | 0.81 | PIK3CD (0.42) | — |
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 11 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 | 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 |
| CN-104529827-B | Ingenol-3-acylate III and ingenol-3-carbamate | 利奥实验室有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-103402977-B | Ingenol-3-acylate III and ingenol-3-carbamate | LEO PHARMA A/S (IE) | 2016-01-20 | — | — | CN | 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 |
| CN-104529827-A | Ingenol-3-acylates III and ingenol-3-carbamates | LEO PHARMA AS | 2015-04-22 | — | — | CN | 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 |