⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28005768 | 0.80 | ADRA2A (0.44) | — | |
| SCHEMBL28340166 | 0.80 | MGAM (0.52) | — | |
| SCHEMBL3503171 | 0.79 | — | — | |
| SCHEMBL15745840 | 0.78 | MGAM (0.57) | — | |
| SCHEMBL946642 | 0.78 | — | — | |
| SCHEMBL13001624 | 0.76 | MGAM (0.42) | — | |
| SCHEMBL8150488 | 0.76 | — | — | |
| SCHEMBL11428897 | 0.76 | — | — | |
| SCHEMBL9305080 | 0.76 | TSHR (0.46) | — | |
| SCHEMBL9841867 | 0.76 | ALDH1A1 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3625225-B1 | LDHA ACTIVITY INHIBITORS | ARCTIC PHARMA AS (NO) | 2022-06-29 | — | — | EP | disclosed |
| CN-113123171-A | Preparation method of milk-flavor cigarette paper | 河南中烟工业有限责任公司 | 2021-07-16 | — | — | CN | disclosed |
| US-8518444-B2 | Graft copolymers as drug delivery systems | EVONIK ROEHM GMBH (DE) | 2013-08-27 | — | — | US | disclosed |