⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5115726 | 0.75 | ALDH1A1 (0.63) | — | |
| SCHEMBL3891189 | 0.74 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL2062301 | 0.74 | KMT2A (0.40) | — | |
| SCHEMBL2283802 | 0.73 | — | — | |
| SCHEMBL15543937 | 0.72 | TGFBR1 (0.35) | — | |
| SCHEMBL25857292 | 0.69 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL22005530 | 0.68 | KCNH2 (0.42) | — | |
| SCHEMBL15543601 | 0.68 | — | — | |
| SCHEMBL28039002 | 0.67 | ESR1 (0.64) | — | |
| SCHEMBL16412710 | 0.67 | BRD4 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2864290-B1 | 3-O-HETEROARYL-INGENOL | LEO LABORATORIES LTD (IE) | 2017-06-14 | — | — | EP | disclosed |
| US-9422309-B2 | 3-O-heteroaryl-ingenol | LEO LABORATORIES LIMITED (IE) | 2016-08-23 | — | — | US | disclosed |
| US-20150175622-A1 | 3-O-HETEROARYL-INGENOL | LEO LABORATORIES LIMITED (IE) | 2015-06-25 | — | — | US | disclosed |
| EP-2864290-A2 | 3-O-HETEROARYL-INGENOL | Leo Laboratories Limited (IE) | 2015-04-29 | — | — | EP | disclosed |
| WO-2014001215-A2 | 3-O-HETEROARYL-INGENOL | LEO LABORATORIES LIMITED (IE) | 2014-01-03 | — | — | WO | disclosed |