⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9285284 | 0.76 | CYP2C19 (0.33) | — | |
| SCHEMBL314077 | 0.73 | — | — | |
| SCHEMBL442716 | 0.72 | — | — | |
| SCHEMBL11035144 | 0.70 | — | — | |
| SCHEMBL12873310 | 0.69 | — | — | |
| SCHEMBL7954216 | 0.69 | — | — | |
| Phosphoric Acid SCHEMBL28218890 | 0.67 | LAP3 (0.43) | — | |
| Acetic Acid SCHEMBL10326077 | 0.67 | GRIN2D (0.40) | — | |
| SCHEMBL2852903 | 0.65 | — | — | |
| SCHEMBL11666963 | 0.65 | LAP3 (0.31) | — |
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-5420328-A | Esterification with alcohol and hydrolysis | AFFYMAX TECHNOLOGIES, N.V. (AN) | 1995-05-30 | — | — | US | disclosed |
| US-5359115-A | Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate | AFFYMAX TECHNOLOGIES, N.V. (US) | 1994-10-25 | — | — | US | disclosed |