⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18117466 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL5864276 | 0.74 | — | — | |
| SCHEMBL18117465 | 0.74 | — | — | |
| SCHEMBL9010813 | 0.74 | SLC6A12 (0.38) | — | |
| SCHEMBL9482757 | 0.73 | — | — | |
| SCHEMBL9482752 | 0.73 | — | — | |
| SCHEMBL5864348 | 0.69 | — | — | |
| SCHEMBL5864235 | 0.68 | — | — | |
| SCHEMBL18657083 | 0.64 | — | — | |
| SCHEMBL367446 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2210612-B1 | Macrocyclic antagonists of the motilin receptor | OCERA THERAPEUTICS INC (US) | 2016-10-05 | — | — | EP | disclosed |