⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31057295 | 0.74 | — | — | |
| SCHEMBL25112081 | 0.74 | — | — | |
| SCHEMBL25111865 | 0.72 | HCAR2 (0.32) | — | |
| SCHEMBL8624057 | 0.71 | SELL (0.39) | — | |
| SCHEMBL29521417 | 0.70 | ACHE (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL873881 | 0.68 | ACHE (0.40) | — | |
| SCHEMBL9172800 | 0.68 | ESR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3033538 | 0.68 | ACHE (0.40) | — | |
| Water SCHEMBL8505796 | 0.68 | ACHE (0.40) | — | |
| Potassium SCHEMBL6156466 | 0.68 | ACHE (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996004297-A9 | SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS | — | 1996-05-02 | — | — | WO | disclosed |
| EP-0662078-A1 | NEW REAGENTS FOR PEPTIDE COUPLINGS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1995-07-12 | — | — | EP | disclosed |