⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14441012 | 0.52 | — | — | |
| Guanidine SCHEMBL5613752 | 0.51 | — | — | |
| Guanidine SCHEMBL165720 | 0.51 | NOS2 (0.42) | — | |
| Guanidine SCHEMBL11330173 | 0.51 | — | — | |
| Guanidine SCHEMBL2003 | 0.51 | — | — | |
| Guanidine SCHEMBL29983942 | 0.51 | — | — | |
| Guanidine SCHEMBL8005195 | 0.50 | — | — | |
| Guanidine SCHEMBL8005192 | 0.50 | — | — | |
| SCHEMBL10424357 | 0.47 | — | — | |
| Guanidine SCHEMBL1083260 | 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 |
|---|---|---|---|---|---|---|---|
| US-20170231979-A1 | Methods and Compositions for Treating Vasomotor Symptoms | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION | 2017-08-17 | — | — | US | disclosed |