⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13018484 | 1.00 | — | — | |
| SCHEMBL13018487 | 1.00 | — | — | |
| SCHEMBL13018480 | 0.87 | — | — | |
| SCHEMBL13018481 | 0.87 | — | — | |
| SCHEMBL13018478 | 0.80 | — | — | |
| SCHEMBL13018479 | 0.80 | — | — | |
| SCHEMBL13018473 | 0.80 | — | — | |
| SCHEMBL10001314 | 0.80 | GPR35 (0.37) | — | |
| SCHEMBL25622058 | 0.80 | GPR35 (0.37) | — | |
| SCHEMBL15440763 | 0.80 | GPR35 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8329915-B2 | Thienothiophene derivatives | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-12-11 | — | — | US | disclosed |
| US-20100331550-A1 | THIENOTHIOPHENE DERIVATIVES | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2010-12-30 | — | — | US | disclosed |