⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19582821 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL11107549 | 0.79 | TDP1 (0.32) | — | |
| SCHEMBL3965792 | 0.78 | — | — | |
| SCHEMBL19582823 | 0.78 | — | — | |
| SCHEMBL787053 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL6418360 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL6854817 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL28006762 | 0.70 | — | — | |
| SCHEMBL29157583 | 0.69 | — | — | |
| SCHEMBL22228983 | 0.69 | ALDH1A1 (0.30) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106860870-A | The therapeutic alliance of antineoplastic alkaloids | 法马马有限公司 | 2017-06-20 | — | — | CN | claimed |
| CN-105777587-A | N-nitrotrinitroethyl carbamate energetic ionic salt and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-07-20 | — | — | CN | claimed |
| CN-100456398-C | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | RUBYCON CORP (JP) | 2009-01-28 | — | — | CN | claimed |
| CN-1529892-A | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | 如碧空株式会社 | 2004-09-15 | — | — | CN | claimed |
| CN-111410902-B | Aqueous multi-component polyurethane coating compositions | 关西涂料株式会社 | 2022-09-06 | — | — | CN | disclosed |
| CN-100456398-C | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | RUBYCON CORP (JP) | 2009-01-28 | — | — | CN | disclosed |
| CN-1529892-A | Electrolyte for driving electrolytic capacitor and electrolytic capacitor | 如碧空株式会社 | 2004-09-15 | — | — | CN | disclosed |
| EP-0689527-B1 | PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME | THIOKOL CORP (US) | 1997-03-12 | — | — | EP | disclosed |
| EP-0689527-A4 | PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME | THIOKOL CORP (US) | 1996-03-13 | — | — | EP | disclosed |
| EP-0689527-A1 | PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME | THIOKOL CORP (US) | 1996-01-03 | — | — | EP | disclosed |
| WO-1994017015-A1 | PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME | THIOKOL CORPORATION (US) | 1994-08-04 | — | — | WO | disclosed |
| US-5292387-A | Phase-stabilized ammonium nitrate and method of making same | THIOKOL CORPORATION (US) | 1994-03-08 | — | — | US | disclosed |