⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138570 | 0.81 | USP2 (0.40) | — | |
| SCHEMBL14850913 | 0.77 | ESR2 (0.35) | — | |
| SCHEMBL14139162 | 0.74 | ESR2 (0.36) | — | |
| SCHEMBL28974037 | 0.71 | LMNA (0.41) | — | |
| SCHEMBL17898504 | 0.71 | TP53 (0.35) | — | |
| SCHEMBL17902633 | 0.70 | NOTUM (0.40) | — | |
| SCHEMBL23186705 | 0.69 | BRD4 (0.49) | — | |
| SCHEMBL356535 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL513188 | 0.67 | USP2 (0.43) | — | |
| SCHEMBL15782152 | 0.66 | LMNA (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012009134-A1 | CRTH2 MODULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |