⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5887469 | 0.69 | — | — | |
| SCHEMBL14616530 | 0.62 | — | — | |
| SCHEMBL16275199 | 0.60 | — | — | |
| SCHEMBL17945532 | 0.60 | — | — | |
| SCHEMBL12927847 | 0.60 | — | — | |
| SCHEMBL5914956 | 0.59 | — | — | |
| SCHEMBL28801188 | 0.59 | — | — | |
| SCHEMBL28122903 | 0.59 | — | — | |
| SCHEMBL12296687 | 0.57 | — | — | |
| SCHEMBL610247 | 0.57 | ALDH1A1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0740657-B1 | 4-ARYLISOINDOLE ANALGESICS | ORTHO PHARMA CORP (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-0740657-A1 | 4-ARYLISOINDOLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-06 | — | — | EP | disclosed |
| US-5543530-A | 4-arylisoindole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-08-06 | — | — | US | disclosed |
| WO-1995017384-A1 | 4-ARYLISOINDOLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-06-29 | — | — | WO | disclosed |