⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10019557 | 0.78 | — | — | |
| SCHEMBL19160768 | 0.72 | — | — | |
| SCHEMBL1030695 | 0.72 | — | — | |
| SCHEMBL1033917 | 0.72 | — | — | |
| SCHEMBL685180 | 0.72 | — | — | |
| SCHEMBL882948 | 0.72 | — | — | |
| Ethane SCHEMBL3828054 | 0.67 | — | — | |
| SCHEMBL2817564 | 0.64 | — | — | |
| SCHEMBL22853796 | 0.64 | — | — | |
| SCHEMBL11959793 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452411-B1 | A PHOTOELECTROCHEMICAL CELL FOR WASTEWATER TREATMENT AND METHOD OF FABRICATING THE PHOTOELECTROCHEMICAL CELL | NAT UNIV SINGAPORE (SG) | 2022-01-26 | — | — | EP | disclosed |
| US-20170042877-A1 | COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA | MINERVA NEUROSCIENCES, INC. | 2017-02-16 | — | — | US | disclosed |