⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25118627 | 0.78 | — | — | |
| SCHEMBL24611639 | 0.78 | — | — | |
| SCHEMBL22335398 | 0.76 | TSHR (0.45) | — | |
| SCHEMBL22658013 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL24519215 | 0.76 | USP2 (0.30) | — | |
| SCHEMBL24519216 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL22703689 | 0.74 | BACE1 (0.32) | — | |
| SCHEMBL21784399 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL22252579 | 0.74 | — | — | |
| SCHEMBL22252725 | 0.73 | NLRP3 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3969499-B1 | PROCESS FOR THE SYNTHESIS OF POLYCARBONATES FROM CYCLIC MONOTHIOCARBONATES | BASF SE (DE) | 2023-10-11 | — | — | EP | disclosed |
| EP-3921361-B1 | PREPARATION OF A CURED POLYMER COMPRISING URETHANE GROUPS AND SILICON ATOMS | BASF SE (DE) | 2023-04-05 | — | — | EP | disclosed |
| WO-2020229393-A1 | PROCESS FOR THE SYNTHESIS OF POLYCARBONATES FROM CYCLIC MONOTHIOCARBONATES | BASF SE (DE) | 2020-11-19 | — | — | WO | disclosed |
| WO-2020161355-A1 | ONE-COMPONENT SEALANT OR ADHESIVE COMPOSITION | BASF SE (DE) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020161281-A1 | PREPARATION OF A CURED POLYMER COMPRISING URETHANE GROUPS AND SILICON ATOMS | BASF SE (DE) | 2020-08-13 | — | — | WO | disclosed |