⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3024710 | 0.85 | — | — | |
| SCHEMBL10938084 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL28939491 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL575054 | 0.83 | TSHR (0.40) | — | |
| SCHEMBL16694275 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL28532624 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL8756302 | 0.79 | — | — | |
| SCHEMBL13239946 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL2817498 | 0.78 | — | — | |
| SCHEMBL14533306 | 0.77 | TSHR (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534255-B1 | PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES | PHARMASSET INC (US) | 2011-01-19 | — | — | EP | disclosed |
| CN-101356159-A | Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors | WYETH CORP (US) | 2009-01-28 | — | — | CN | disclosed |
| CN-100360517-C | Pesticidal (dihalopropenyl)phenylalkyl substituted benzodioxolane and benzodioxole derivatives | FMC CORP (DE) | 2008-01-09 | — | — | CN | disclosed |
| EP-1534255-A4 | PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES | PHARMASSET INC (US) | 2006-10-18 | — | — | EP | disclosed |
| CN-1780828-A | Pesticidal (dihalopropenyl)phenylalkyl substituted benzodioxolane and benzodioxole derivatives | FMC CORP (US) | 2006-05-31 | — | — | CN | disclosed |
| EP-1534255-A2 | PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES | Pharmasset, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6855821-B2 | Processes for preparing 1,3-dioxolane nucleosides | PHARMASSET, LTD. (US) | 2005-02-15 | — | — | US | disclosed |
| US-20040087806-A1 | Processes for preparing 1,3-dioxolane nucleosides | PHARMASSET, INC. | 2004-05-06 | — | — | US | disclosed |
| WO-2004028445-A2 | PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES | PHARMASSET INC. (US) | 2004-04-08 | — | — | WO | disclosed |