⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4012084 | 0.75 | — | — | |
| SCHEMBL3116028 | 0.75 | — | — | |
| SCHEMBL13559270 | 0.74 | — | — | |
| SCHEMBL4072453 | 0.70 | — | — | |
| SCHEMBL1074410 | 0.70 | — | — | |
| SCHEMBL7482380 | 0.70 | — | — | |
| SCHEMBL3470524 | 0.67 | HRH3 (0.43) | — | |
| SCHEMBL5054800 | 0.67 | TAAR1 (0.33) | — | |
| SCHEMBL8513535 | 0.67 | — | — | |
| SCHEMBL2448655 | 0.66 | HTR3A (0.33) | — |
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-2563358-A1 | INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |
| US-6768024-B1 | CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION | LION BIOSCIENCE AG (DE) | 2004-07-27 | — | — | US | disclosed |