⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12256568 | 0.88 | CYP11B2 (0.35) | — | |
| SCHEMBL12050217 | 0.88 | CYP11B2 (0.35) | — | |
| SCHEMBL20646579 | 0.77 | CYP17A1 (0.38) | — | |
| SCHEMBL23729877 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL25303729 | 0.73 | CYP17A1 (0.37) | — | |
| SCHEMBL1181258 | 0.73 | IDO1 (0.32) | — | |
| SCHEMBL1180986 | 0.73 | IDO1 (0.32) | — | |
| SCHEMBL19043875 | 0.70 | CYP17A1 (0.36) | — | |
| SCHEMBL24377497 | 0.69 | CHRNB4 (0.33) | — | |
| SCHEMBL21846680 | 0.69 | CYP17A1 (0.30) | — |
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-2079728-B1 | N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES | AMGEN INC (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2008045484-A1 | N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES | AMGEN INC. (US) | 2008-04-17 | — | — | WO | disclosed |