⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26189277 | 0.83 | — | — | |
| SCHEMBL21504650 | 0.83 | CA12 (0.32) | — | |
| SCHEMBL26189276 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL25895019 | 0.76 | CA12 (0.31) | — | |
| SCHEMBL21504654 | 0.73 | RAPGEF4 (0.30) | — | |
| SCHEMBL21504653 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL23733383 | 0.71 | — | — | |
| SCHEMBL12256411 | 0.70 | TAS1R3 (0.31) | — | |
| SCHEMBL21215554 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL26836133 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242569-A1 | PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE | 2023-08-03 | — | — | US | disclosed |