⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL168273 | 0.82 | — | — | |
| SCHEMBL9936963 | 0.78 | — | — | |
| Water SCHEMBL27578932 | 0.78 | — | — | |
| Water SCHEMBL27563979 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL701094 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL20590318 | 0.76 | ALDH1A1 (0.43) | — | |
| Tert-Butanol SCHEMBL7344924 | 0.76 | — | — | |
| SCHEMBL1939449 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8882610 | 0.75 | — | — | |
| SCHEMBL11756740 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117586986-A | Compositions and methods comprising lipolytic enzyme variants | 丹尼斯科美国公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-110093330-B | Compositions and methods comprising lipolytic enzyme variants | 丹尼斯科美国公司 | 2023-11-28 | — | — | CN | disclosed |
| EP-1287101-B1 | DETERGENT COMPOSITIONS | UNILEVER PLC (GB) | 2004-04-21 | — | — | EP | disclosed |
| EP-1287101-A1 | DETERGENT COMPOSITIONS | UNILEVER PLC (GB) | 2003-03-05 | — | — | EP | disclosed |
| US-6395696-B2 | Detergent compositions containing a cationic detergent and builder | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2002-05-28 | — | — | US | disclosed |
| US-20020004475-A1 | Detergent compositions | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2002-01-10 | — | — | US | disclosed |
| WO-2001092449-A1 | DETERGENT COMPOSITIONS | UNILEVER PLC (GB) | 2001-12-06 | — | — | WO | disclosed |