⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18603248 | 0.81 | F2 (0.37) | — | |
| SCHEMBL29640756 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL23210491 | 0.76 | PDK2 (0.34) | — | |
| SCHEMBL21819400 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL673370 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL2765804 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL21794979 | 0.68 | ELANE (0.34) | — | |
| SCHEMBL21819552 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL21995832 | 0.67 | ELANE (0.40) | — | |
| SCHEMBL1582031 | 0.67 | KIT (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-20180148433-A1 | New Pyrazolyl-substituted Heteroaryls and their use as Medicaments | BOEHRINGER INGELHEIM INT (DE) | 2018-05-31 | — | — | US | disclosed |
| US-20180148433-A1 | New Pyrazolyl-substituted Heteroaryls and their use as Medicaments | BOEHRINGER INGELHEIM INT (DE) | 2018-05-31 | — | — | US | disclosed |