⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27701505 | 0.91 | — | — | |
| Isobutane SCHEMBL1443407 | 0.91 | — | — | |
| Isobutane SCHEMBL2142427 | 0.83 | — | — | |
| Isobutane SCHEMBL27629842 | 0.83 | — | — | |
| Isobutane SCHEMBL5886653 | 0.83 | — | — | |
| Isobutane SCHEMBL14958385 | 0.83 | ALDH1A1 (0.38) | — | |
| Isobutane SCHEMBL27610905 | 0.83 | — | — | |
| Isobutane SCHEMBL28805777 | 0.83 | — | — | |
| Isobutane SCHEMBL7754023 | 0.82 | TSHR (0.50) | — | |
| Isobutane SCHEMBL20490082 | 0.82 | TSHR (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2160397-B1 | A NOVEL AND HIGHLY STEREOSELECTIVE PROCESS FOR PREPARING GEMCITABINE AND INTERMEDIATES THEREOF | NANJING CAVENDISH BIO ENGINEERING TECHNOLOGY CO LTD (CN) | 2014-03-26 | — | — | EP | disclosed |
| US-20130018181-A1 | Novel and Highly Stereoselective Process for Preparing Gemcitabine and Intermediates Thereof | Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) | 2013-01-17 | — | — | US | disclosed |
| US-8324373-B2 | Highly stereoselective process for preparing gemcitabine and intermediates thereof | Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) | 2012-12-04 | — | — | US | disclosed |
| US-20100179314-A1 | Novel and Highly Stereoselective Process for Preparing Gemcitabine and Intermediates Thereof | NANJING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., (CN) | 2010-07-15 | — | — | US | disclosed |
| EP-2160397-A1 | A NOVEL AND HIGHLY STEREOSELECTIVE PROCESS FOR PREPARING GEMCITABINE AND INTERMEDIATES THEREOF | Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008144970-A1 | A NOVEL AND HIGHLY STEREOSELECTIVE PROCESS FOR PREPARING GEMCITABINE AND INTERMEDIATES THEREOF | Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) | 2008-12-04 | — | — | WO | disclosed |