⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9119634 | 1.00 | — | — | |
| SCHEMBL1355649 | 0.83 | — | — | |
| SCHEMBL22490955 | 0.83 | — | — | |
| Ether SCHEMBL9750502 | 0.79 | — | — | |
| SCHEMBL525425 | 0.78 | — | — | |
| SCHEMBL11871550 | 0.77 | — | — | |
| Ether SCHEMBL861634 | 0.76 | — | — | |
| SCHEMBL27728683 | 0.75 | — | — | |
| Ether SCHEMBL8728166 | 0.75 | MAPK1 (0.38) | — | |
| SCHEMBL43710 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9932313-B2 | Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170267643-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION | 2017-09-21 | — | — | US | disclosed |