⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9464881 | 0.78 | — | — | |
| SCHEMBL3626143 | 0.76 | — | — | |
| SCHEMBL12659754 | 0.76 | — | — | |
| SCHEMBL7981911 | 0.76 | — | — | |
| SCHEMBL27653870 | 0.76 | — | — | |
| SCHEMBL17369092 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17493897 | 0.74 | — | — | |
| SCHEMBL3294436 | 0.73 | — | — | |
| SCHEMBL1911587 | 0.73 | CNR1 (0.36) | — | |
| SCHEMBL7750984 | 0.73 | HCAR2 (0.35) | — |
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-9139532-B2 | Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-09-22 | — | — | US | disclosed |
| US-20150080377-A1 | DEUTERIUM-ENRICHED PYRIDINONECARBOXAMIDES AND DERIVATIVES | DHANOA DALJIT SINGH (US) | 2015-03-19 | — | — | US | disclosed |