⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4423513 | 1.00 | — | — | |
| SCHEMBL13917967 | 1.00 | — | — | |
| SCHEMBL13917899 | 1.00 | — | — | |
| SCHEMBL21788153 | 0.85 | — | — | |
| SCHEMBL15099814 | 0.85 | — | — | |
| SCHEMBL12954869 | 0.85 | — | — | |
| SCHEMBL1867102 | 0.85 | — | — | |
| SCHEMBL12840836 | 0.84 | — | — | |
| SCHEMBL9607779 | 0.79 | — | — | |
| SCHEMBL21660739 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |