⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884479 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL30399652 | 0.72 | HTT (0.32) | — | |
| Hydrochloric Acid SCHEMBL28527974 | 0.72 | ABHD6 (0.33) | — | |
| SCHEMBL27083049 | 0.72 | ALDH1A1 (0.31) | — | |
| Bicarbonate SCHEMBL6441900 | 0.70 | GABRA1 (0.30) | — | |
| SCHEMBL701889 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL12095053 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL20291482 | 0.67 | — | — | |
| SCHEMBL38660261 | 0.66 | GRIK1 (0.32) | — | |
| SCHEMBL4987955 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2320732-A2 | SUBSTITUTED IMIDAZOLE COMBINATIONS | Pfizer Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010020896-A2 | SUBSTITUTED IMIDAZOLE COMBINATIONS | PFIZER INC. (US) | 2010-02-25 | — | — | WO | disclosed |