⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27897436 | 0.72 | — | — | |
| SCHEMBL27714888 | 0.72 | — | — | |
| SCHEMBL28069326 | 0.72 | POLB (0.48) | — | |
| SCHEMBL2231528 | 0.60 | — | — | |
| SCHEMBL27506522 | 0.59 | FAAH (0.31) | — | |
| SCHEMBL1052873 | 0.58 | — | — | |
| SCHEMBL4651775 | 0.56 | — | — | |
| SCHEMBL5948575 | 0.56 | — | — | |
| SCHEMBL28117143 | 0.56 | — | — | |
| SCHEMBL20552948 | 0.56 | TSHR (0.50) | — |
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-2011149827-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-12-01 | — | — | WO | disclosed |