⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16728419 | 1.00 | — | — | |
| SCHEMBL15209103 | 0.87 | DPP4 (0.35) | — | |
| SCHEMBL1743295 | 0.83 | SHBG (0.35) | — | |
| SCHEMBL16728423 | 0.83 | — | — | |
| SCHEMBL482200 | 0.83 | SHBG (0.35) | — | |
| SCHEMBL16728411 | 0.75 | MMP2 (0.37) | — | |
| SCHEMBL1192553 | 0.74 | SMYD3 (0.31) | — | |
| SCHEMBL5310735 | 0.74 | CPN1 (0.40) | — | |
| SCHEMBL16336795 | 0.74 | SMYD3 (0.31) | — | |
| SCHEMBL1498379 | 0.73 | MMP1 (0.33) | — |
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-9040547-B2 | Pyrrolopyrimidine and purine derivatives | PFIZER INC. (US) | 2015-05-26 | — | — | US | disclosed |