⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12784637 | 1.00 | — | — | |
| SCHEMBL12745348 | 0.81 | — | — | |
| SCHEMBL16369403 | 0.77 | PDE3B (0.32) | — | |
| SCHEMBL12784641 | 0.76 | PTGS2 (0.32) | — | |
| SCHEMBL2959355 | 0.76 | — | — | |
| SCHEMBL12745354 | 0.76 | — | — | |
| SCHEMBL11977464 | 0.71 | HPGD (0.34) | — | |
| SCHEMBL19750274 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL9442055 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL23656186 | 0.67 | — | — |
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-8575209-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-05 | — | — | US | disclosed |
| US-20110071206-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-24 | — | — | US | disclosed |