⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4330110 | 0.75 | — | — | |
| SCHEMBL13852409 | 0.70 | — | — | |
| SCHEMBL15369604 | 0.69 | — | — | |
| SCHEMBL628761 | 0.68 | — | — | |
| SCHEMBL6429595 | 0.68 | — | — | |
| SCHEMBL6429594 | 0.68 | — | — | |
| SCHEMBL851423 | 0.68 | STAT3 (0.32) | — | |
| SCHEMBL15369586 | 0.68 | — | — | |
| SCHEMBL9955464 | 0.68 | STAT3 (0.32) | — | |
| SCHEMBL4862979 | 0.68 | TSHR (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644384-B1 | PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR | BRISTOL MYERS SQUIBB CO (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-2433941-A1 | Process for isolating 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 Company (US) | 2012-03-28 | — | — | EP | disclosed |
| US-7550619-B2 | Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-23 | — | — | US | disclosed |
| US-7541460-B2 | Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-02 | — | — | US | disclosed |
| US-20060106215-A1 | 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 | CHAN YEUNG Y | 2006-05-18 | — | — | US | disclosed |
| US-20060106216-A1 | 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 | PENDRI YADAGIRI R | 2006-05-18 | — | — | US | disclosed |
| US-7034152-B2 | Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta )]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-25 | — | — | US | disclosed |
| US-20040192912-A1 | Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one | BRISTOL-MYERS SQUIBB COMPANY | 2004-09-30 | — | — | US | disclosed |