⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20482066 | 1.00 | — | — | |
| SCHEMBL6601468 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL21800786 | 0.70 | PDE2A (0.43) | — | |
| SCHEMBL24358167 | 0.69 | TDP1 (0.42) | — | |
| SCHEMBL5176986 | 0.68 | FADS1 (0.31) | — | |
| SCHEMBL20721972 | 0.67 | USP2 (0.31) | — | |
| SCHEMBL2492030 | 0.67 | MDM2 (0.39) | — | |
| SCHEMBL16093965 | 0.67 | TSHR (0.45) | — | |
| SCHEMBL3978958 | 0.66 | TP53 (0.48) | — | |
| SCHEMBL1468369 | 0.65 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3049405-A1 | AUTOTAXIN INHIBITOR COMPOUNDS | Pharmakea Inc. (US) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015048301-A1 | AUTOTAXIN INHIBITOR COMPOUNDS | PHARMAKEA, INC. (US) | 2015-04-02 | — | — | WO | disclosed |