⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14214372 | 1.00 | — | — | |
| SCHEMBL576851 | 1.00 | — | — | |
| SCHEMBL15549648 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17274559 | 0.98 | GRIK1 (0.47) | — | |
| SCHEMBL4970428 | 0.87 | GABRR1 (0.46) | — | |
| SCHEMBL3102172 | 0.80 | — | — | |
| SCHEMBL18969754 | 0.80 | — | — | |
| SCHEMBL12230325 | 0.80 | — | — | |
| SCHEMBL17274557 | 0.78 | — | — | |
| SCHEMBL6718784 | 0.78 | — | — |
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-20090325976-A1 | PROSTACYCLIN DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2009-12-31 | — | — | US | disclosed |