⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28144070 | 0.70 | CA9 (0.33) | — | |
| SCHEMBL1817442 | 0.68 | TYMS (0.37) | — | |
| SCHEMBL28145059 | 0.68 | PDK2 (0.37) | — | |
| SCHEMBL28312001 | 0.64 | OPRM1 (0.34) | — | |
| SCHEMBL27873179 | 0.63 | — | — | |
| SCHEMBL16606911 | 0.62 | TYMS (0.34) | — | |
| SCHEMBL28941673 | 0.59 | AKR1B1 (0.33) | — | |
| SCHEMBL18053854 | 0.55 | NOS3 (0.32) | — | |
| SCHEMBL5366571 | 0.55 | CA9 (0.47) | — | |
| SCHEMBL18615402 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102725291-A | Bicyclic pyridines and analogs as sirtuin modulators | SIRTRIS PHARMACEUTICALS INC | 2012-10-10 | — | — | CN | disclosed |