⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12377077 | 1.00 | — | — | |
| SCHEMBL13193510 | 0.82 | — | — | |
| SCHEMBL12377074 | 0.82 | — | — | |
| SCHEMBL26711806 | 0.81 | EPHX1 (0.52) | — | |
| SCHEMBL18482746 | 0.81 | EPHX1 (0.52) | — | |
| SCHEMBL24997192 | 0.81 | EPHX1 (0.52) | — | |
| SCHEMBL37295 | 0.77 | — | — | |
| SCHEMBL56167 | 0.77 | — | — | |
| SCHEMBL37294 | 0.77 | — | — | |
| SCHEMBL11575290 | 0.77 | — | — |
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-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |