⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3031209 | 0.63 | GAA (0.40) | — | |
| SCHEMBL7862431 | 0.62 | — | — | |
| SCHEMBL8194487 | 0.58 | DRD2 (0.51) | — | |
| SCHEMBL4929311 | 0.58 | — | — | |
| SCHEMBL20765234 | 0.57 | F2 (0.39) | — | |
| SCHEMBL2464091 | 0.56 | — | — | |
| SCHEMBL260003 | 0.55 | — | — | |
| SCHEMBL4742508 | 0.55 | — | — | |
| SCHEMBL3316532 | 0.54 | HTR2C (0.66) | — | |
| SCHEMBL20777893 | 0.54 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9409907-B2 | Inhibitor compounds | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2016-08-09 | — | — | US | disclosed |
| US-20150239884-A1 | INHIBITOR COMPOUNDS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2015-08-27 | — | — | US | disclosed |