⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22386309 | 0.76 | — | — | |
| SCHEMBL22055851 | 0.73 | — | — | |
| SCHEMBL19518123 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL16479470 | 0.62 | — | — | |
| SCHEMBL12310203 | 0.62 | — | — | |
| SCHEMBL13299029 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL21248560 | 0.60 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL21248564 | 0.60 | — | — | |
| SCHEMBL8083690 | 0.60 | — | — | |
| SCHEMBL6626694 | 0.60 | — | — |
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-20150368262-A1 | ALPHA HELIX MIMETICS AND METHODS RELATING THERETO | Prism BioLab Co., Ltd. (JP) | 2015-12-24 | — | — | US | disclosed |
| US-9040531-B2 | Alpha helix mimetics and methods relating thereto | Prism BioLab Co., Ltd. (JP) | 2015-05-26 | — | — | US | disclosed |
| CN-102026996-B | Pyridazine derivatives as factor XIA inhibitors | BRISTOL MYERS SQUIBB CO | 2015-01-07 | — | — | CN | disclosed |
| CN-102026996-A | Pyridazine derivatives as factor XIA inhibitors | BRISTOL MYERS SQUIBB CO | 2011-04-20 | — | — | CN | disclosed |