⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5722385 | 0.89 | SLC6A12 (0.39) | — | |
| SCHEMBL5722453 | 0.79 | KMT2A (0.32) | — | |
| SCHEMBL17249606 | 0.79 | — | — | |
| SCHEMBL1901026 | 0.77 | FUCA1 (0.39) | — | |
| SCHEMBL21573802 | 0.77 | — | — | |
| SCHEMBL21573785 | 0.77 | — | — | |
| SCHEMBL1866565 | 0.74 | FUCA1 (0.40) | — | |
| SCHEMBL10106984 | 0.74 | CYP2C9 (0.49) | — | |
| SCHEMBL14504645 | 0.74 | TDP1 (0.44) | — | |
| SCHEMBL22482094 | 0.73 | FUCA1 (0.47) | — |
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-2015169180-A1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-11-12 | — | — | WO | disclosed |