⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL117832 | 0.77 | — | — | |
| SCHEMBL4300520 | 0.77 | DGAT1 (0.46) | — | |
| SCHEMBL27622606 | 0.77 | — | — | |
| SCHEMBL6248562 | 0.74 | — | — | |
| SCHEMBL5613155 | 0.73 | — | — | |
| SCHEMBL10954143 | 0.73 | KCNN4 (0.42) | — | |
| SCHEMBL98576 | 0.72 | — | — | |
| SCHEMBL5870536 | 0.72 | — | — | |
| SCHEMBL13083667 | 0.72 | DGAT1 (0.42) | — | |
| SCHEMBL5870535 | 0.72 | — | — |
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-5380731-A | Antiallergic compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0561973-A1 | ANTIALLERGIC COMPOUNDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| WO-1992010491-A1 | ANTIALLERGIC COMPOUNDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-25 | — | — | WO | disclosed |