⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27368331 | 0.76 | — | — | |
| SCHEMBL27350154 | 0.74 | — | — | |
| SCHEMBL3217368 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL27700429 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL4006254 | 0.68 | IGLV6-57 (0.34) | — | |
| SCHEMBL28296060 | 0.67 | HSD17B1 (0.41) | — | |
| SCHEMBL27294646 | 0.66 | HTT (0.43) | — | |
| SCHEMBL6494423 | 0.66 | BRD4 (0.41) | — | |
| SCHEMBL6505131 | 0.66 | LMNA (0.45) | — | |
| SCHEMBL6135389 | 0.66 | LMNA (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1898244-B | Triazole derivatives as vasopressin antagonists | PFIZER | 2011-06-22 | — | — | CN | disclosed |
| CN-1898244-A | Triazole derivatives as vasopressin antagonists | PFIZER (US) | 2007-01-17 | — | — | CN | disclosed |