⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9640558 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL471892 | 0.97 | ALDH1A1 (0.50) | — | |
| SCHEMBL284806 | 0.97 | — | — | |
| SCHEMBL22598 | 0.97 | — | — | |
| SCHEMBL344175 | 0.97 | — | — | |
| SCHEMBL29615225 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL6027936 | 0.94 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2655388 | 0.94 | — | — | |
| SCHEMBL5605429 | 0.94 | — | — | |
| Propane SCHEMBL9159399 | 0.94 | ALDH1A1 (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | claimed |
| US-6737386-B1 | HIGH TEMPERTURE SUBTERRANEAN FORMATIONS | BENCHMARK RESEARCH AND TECHNOLOGY INC. | 2004-05-18 | — | — | US | claimed |
| EP-3518878-A1 | IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION | Henkel AG & Co. KGaA (DE) | 2019-08-07 | — | — | EP | disclosed |
| CN-109251143-A | The preparation method of electron level ethyl lactate | 程双华 | 2019-01-22 | — | — | CN | disclosed |
| CN-104860812-B | A kind of preparation method of ammonium lactate solid | 北京恩成康泰生物科技有限公司 | 2017-07-11 | — | — | CN | disclosed |
| CN-1997620-B | Ionic liquids comprising nitrogen-containing cations | UNIV YORK | 2012-10-03 | — | — | CN | disclosed |
| CN-102344379-A | Ionic liquid containing nitrogen-containing cation | UNIV YORK | 2012-02-08 | — | — | CN | disclosed |
| CN-100595262-C | Method of ion-liquid for desulfurizing petrol coke | INST PROCESS ENG CAS | 2010-03-24 | — | — | CN | disclosed |
| CN-101029237-A | Method of ion-liquid for desulfurizing petrol coke | PROCESS ENG INST CAS (CN) | 2007-09-05 | — | — | CN | disclosed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | disclosed |
| CN-1229581-A | Synergistic insecticidal compositions | ROHM & HAAS (US) | 1999-09-29 | — | — | CN | disclosed |