⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8046976 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL4390758 | 0.77 | LTA4H (0.33) | — | |
| SCHEMBL13285300 | 0.75 | — | — | |
| SCHEMBL12465210 | 0.75 | — | — | |
| SCHEMBL7507371 | 0.75 | — | — | |
| SCHEMBL18469593 | 0.74 | — | — | |
| SCHEMBL20171641 | 0.73 | ODC1 (0.31) | — | |
| SCHEMBL18652062 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL22197306 | 0.73 | HTR1B (0.42) | — | |
| SCHEMBL17531787 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007089462-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES | M'S SCIENCE CORPORATION (JP) | 2007-08-09 | — | — | WO | disclosed |