⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1500770 | 0.81 | MAPT (0.41) | — | |
| SCHEMBL1500698 | 0.76 | NPC1 (0.38) | — | |
| SCHEMBL1500679 | 0.72 | PTGS2 (0.46) | — | |
| SCHEMBL1500674 | 0.71 | — | — | |
| SCHEMBL1500682 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL1500252 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL1500676 | 0.71 | NPC1 (0.50) | — | |
| SCHEMBL1500690 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL1500675 | 0.71 | IDO1 (0.38) | — | |
| SCHEMBL1500662 | 0.71 | GABRB3 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110160208-A1 | DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-30 | — | — | US | disclosed |
| US-7902369-B2 | Diaryl-substituted five-membered heterocycle derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20070173507-A1 | Dairyl-substituted five-membered heterocycle derivative | MSD K.K. (JP) | 2007-07-26 | — | — | US | disclosed |
| EP-1726585-A1 | DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-11-29 | — | — | EP | disclosed |