⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4027157 | 0.94 | USP9X (0.30) | — | |
| SCHEMBL7532936 | 0.91 | FLT3 (0.33) | — | |
| SCHEMBL4029004 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL4027506 | 0.77 | ENPP2 (0.31) | — | |
| SCHEMBL9518468 | 0.73 | ENPP2 (0.33) | — | |
| SCHEMBL21636129 | 0.72 | SIRT2 (0.35) | — | |
| SCHEMBL5682208 | 0.72 | AKR1C3 (0.40) | — | |
| SCHEMBL4023986 | 0.72 | VNN1 (0.36) | — | |
| SCHEMBL14249054 | 0.72 | SIRT2 (0.34) | — | |
| SCHEMBL1414837 | 0.72 | SIRT2 (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-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | disclosed |
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |