⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12715769 | 1.00 | — | — | |
| SCHEMBL7022461 | 1.00 | — | — | |
| SCHEMBL14514284 | 1.00 | — | — | |
| SCHEMBL7403991 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9090519 | 0.98 | GAA (0.43) | — | |
| SCHEMBL8172380 | 0.86 | GBA1 (0.60) | — | |
| SCHEMBL6433984 | 0.86 | GBA1 (0.60) | — | |
| SCHEMBL8180629 | 0.86 | GBA1 (0.60) | — | |
| SCHEMBL25753303 | 0.84 | GBA1 (0.40) | — | |
| SCHEMBL6635846 | 0.84 | GBA1 (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 |
|---|---|---|---|---|---|---|---|
| US-8183019-B2 | (3R,4R)-3-hydroxy-4-hydroxymethylpyrrolidine or (3S,4S)-3-hydroxy-4-hydroxymethylpyrrolidine; enzyme-catalysed enantioselective hydrolysis of a racemic 3,4-trans-disubstituted pyrrolidinone; for purine nucleoside phosphorylase (PNP) inhibitors | INDUSTRIAL RESEARCH LIMITED (NZ) | 2012-05-22 | — | — | US | disclosed |
| US-20080280334-A1 | Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2008-11-13 | — | — | US | disclosed |