⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL173003 | 0.79 | — | — | |
| SCHEMBL20618136 | 0.79 | — | — | |
| SCHEMBL13006615 | 0.77 | — | — | |
| SCHEMBL13272869 | 0.76 | MMP1 (0.32) | — | |
| SCHEMBL24070903 | 0.72 | SLC6A4 (0.32) | — | |
| SCHEMBL24349596 | 0.72 | — | — | |
| SCHEMBL2735830 | 0.72 | — | — | |
| SCHEMBL24070907 | 0.72 | SLC6A4 (0.32) | — | |
| SCHEMBL24969102 | 0.70 | — | — | |
| SCHEMBL15467024 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |