⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5088328 | 0.85 | — | — | |
| SCHEMBL1341202 | 0.82 | CYP3A4 (0.30) | — | |
| SCHEMBL8703474 | 0.77 | — | — | |
| SCHEMBL9405105 | 0.76 | — | — | |
| SCHEMBL6689441 | 0.75 | — | — | |
| SCHEMBL2168358 | 0.75 | — | — | |
| SCHEMBL6266389 | 0.74 | — | — | |
| SCHEMBL4984798 | 0.74 | — | — | |
| SCHEMBL3980860 | 0.74 | — | — | |
| SCHEMBL1456355 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040002487-A1 | Protease inhibitors | MARQUIS ROBERT WELLS (US) | 2004-01-01 | — | — | US | disclosed |
| US-6452056-B1 | REDUCING FLUORINATED BENZONITRILE TO A BENZYLAMINE WHICH IS REPLACED WITH A HYDROXYL GROUP | ASAHI GLASS COMPANY, LIMITED (JP) | 2002-09-17 | — | — | US | disclosed |
| EP-1114809-A1 | PROCESS FOR THE PREPARATION OF FLUOROBENZYL DERIVATIVES | Asahi Glass Co., Ltd. (JP) | 2001-07-11 | — | — | EP | disclosed |