⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28881851 | 0.96 | TSHR (0.77) | — | |
| Cyclohexanol SCHEMBL2165683 | 0.96 | — | — | |
| Cyclopentanol SCHEMBL1330691 | 0.91 | — | — | |
| SCHEMBL6429664 | 0.91 | TSHR (1.00) | — | |
| Cyclopentanol SCHEMBL2433 | 0.91 | — | — | |
| Cyclopentanol SCHEMBL27622562 | 0.88 | TSHR (0.77) | — | |
| Cyclohexanol SCHEMBL595092 | 0.88 | TSHR (0.77) | — | |
| Cyclohexanol SCHEMBL595768 | 0.88 | TSHR (0.77) | — | |
| Cyclohexanol SCHEMBL11414693 | 0.88 | — | — | |
| SCHEMBL23121456 | 0.87 | TSHR (0.91) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101130543-B | Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one | BRISTOL MYERS SQUIBB CO | 2011-06-08 | — | — | CN | disclosed |
| CN-101130552-B | Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one | BRISTOL MYERS SQUIBB CO | 2010-07-28 | — | — | CN | disclosed |
| CN-101130552-A | Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one | BRISTOL MYERS SQUIBB CO (US) | 2008-02-27 | — | — | CN | disclosed |
| CN-101130543-A | Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one | BRISTOL MYERS SQUIBB CO (US) | 2008-02-27 | — | — | CN | disclosed |
| US-5494821-A | ESTERIFICATION; OPTICAL RESOLUTION; SULFOESTERIFICATION; AZOLATION | KUREHA KAGAKU KOGYO K.K. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5494821-A | ESTERIFICATION; OPTICAL RESOLUTION; SULFOESTERIFICATION; AZOLATION | KUREHA KAGAKU KOGYO K.K. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0576834-A2 | Process for producing optically active 1,2-diol derivatives | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1994-01-05 | — | — | EP | disclosed |