⚠ 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 | 0.79 | — | — | |
| SCHEMBL24168302 | 0.77 | — | — | |
| SCHEMBL22252579 | 0.76 | — | — | |
| SCHEMBL22658013 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL7927861 | 0.73 | — | — | |
| SCHEMBL6192751 | 0.73 | — | — | |
| SCHEMBL24611639 | 0.72 | — | — | |
| SCHEMBL25118627 | 0.72 | — | — | |
| SCHEMBL24087771 | 0.72 | TP53 (0.54) | — | |
| SCHEMBL26399965 | 0.72 | TSHR (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11780964-B2 | Process for the manufacturing of a polymer with urethane groups | BASF SE (DE) | 2023-10-10 | — | — | US | disclosed |
| US-20220127241-A1 | METHOD FOR THE PREPARATION OF THIOCARBONATES | BASF SE (DE) | 2022-04-28 | — | — | US | disclosed |
| US-11247979-B2 | Method for the preparation of thiocarbonates | BASF SE (DE) | 2022-02-15 | — | — | US | disclosed |
| US-20200369641-A1 | METHOD FOR THE PREPARATION OF THIOCARBONATES | BASF SE (DE) | 2020-11-26 | — | — | US | disclosed |
| US-20200354333-A1 | PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS | BASF SE (DE) | 2020-11-12 | — | — | US | disclosed |
| US-20200239633-A1 | PROCESS FOR THE MANUFACTURING OF A POLYMER WITH URETHANE GROUPS | BASF SE (DE) | 2020-07-30 | — | — | US | disclosed |