⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20754783 | 0.77 | — | — | |
| SCHEMBL24087759 | 0.76 | APEX1 (0.33) | — | |
| SCHEMBL22272189 | 0.76 | — | — | |
| SCHEMBL22231497 | 0.75 | LMNA (0.41) | — | |
| SCHEMBL22335437 | 0.74 | — | — | |
| SCHEMBL22252556 | 0.71 | — | — | |
| SCHEMBL25118627 | 0.71 | — | — | |
| SCHEMBL24168302 | 0.71 | — | — | |
| SCHEMBL24611639 | 0.71 | — | — | |
| SCHEMBL24087771 | 0.71 | TP53 (0.54) | — |
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-20210380553-A1 | Method for the preparation of compounds with cyclic monothiocarbonate groups | BASF SE (DE) | 2021-12-09 | — | — | US | disclosed |
| WO-2020148423-A1 | METHOD FOR THE PREPARATION OF COMPOUNDS WITH CYCLIC MONOTHIOCARBONATE GROUPS | BASF SE (DE) | 2020-07-23 | — | — | WO | disclosed |