⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL2638205 | 0.87 | ALDH1A1 (0.32) | — | |
| Cyclohexane SCHEMBL3216822 | 0.80 | CYP2C19 (0.36) | — | |
| SCHEMBL18191 | 0.76 | CYP2C19 (0.42) | — | |
| SCHEMBL28557000 | 0.73 | CYP2C19 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8858515 | 0.73 | CYP2C19 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL27688316 | 0.73 | CYP2C19 (0.40) | — | |
| Fluoride SCHEMBL15313130 | 0.70 | CYP2C19 (0.38) | — | |
| Ethylene SCHEMBL4765785 | 0.70 | CYP2C19 (0.38) | — | |
| Fluoride SCHEMBL732880 | 0.70 | CYP2C19 (0.38) | — | |
| Methyl Alcohol SCHEMBL4271767 | 0.70 | CYP2C19 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4792550-B2 | — | — | 2011-10-12 | — | — | JP | claimed |
| EP-1608634-A4 | METHODS FOR ISOLATING CRYSTALLINE FORM I OF 5-AZACYTIDINE | PHARMION CORP (US) | 2006-03-15 | — | — | EP | claimed |
| EP-1608634-A2 | METHODS FOR ISOLATING CRYSTALLINE FORM I OF 5-AZACYTIDINE | Pharmion Corporation (US) | 2005-12-28 | — | — | EP | claimed |
| WO-2004082822-A2 | METHODS FOR ISOLATING CRYSTALLINE FORM I OF 5-AZACYTIDINE | PHARMION CORPORATION (US) | 2004-09-30 | — | — | WO | claimed |