⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27374843 | 0.89 | — | — | |
| SCHEMBL27466833 | 0.82 | ADRB2 (0.33) | — | |
| SCHEMBL410949 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL27418634 | 0.80 | MAPT (0.35) | — | |
| SCHEMBL4873522 | 0.78 | DNM1 (0.46) | — | |
| SCHEMBL12738541 | 0.78 | CA1 (0.30) | — | |
| SCHEMBL27510308 | 0.78 | — | — | |
| SCHEMBL6928938 | 0.75 | — | — | |
| SCHEMBL27354731 | 0.75 | — | — | |
| SCHEMBL2352064 | 0.75 | DNM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007063327-A1 | HYDROXYLAMMONIUM SALTS AS IONIC LIQUIDS | BIONIQS LIMITED (GB) | 2007-06-07 | — | — | WO | claimed |
| CN-109320617-B | Bio-based nano material and preparation method thereof | 青岛科技大学 | 2021-01-29 | — | — | CN | disclosed |
| CN-104220413-B | Method for producing 4-hydroxybutyl acrylate | 大阪有机化学工业株式会社 | 2018-12-04 | — | — | CN | disclosed |
| CN-105339341-A | Production system for (meth) acrylic acid ester | OSAKA ORGANIC CHEM IND | 2016-02-17 | — | — | CN | disclosed |
| CN-104220413-A | Method for producing 4-hydroxybutyl acrylate | OSAKA ORGANIC CHEM IND | 2014-12-17 | — | — | CN | disclosed |
| WO-2007063327-A1 | HYDROXYLAMMONIUM SALTS AS IONIC LIQUIDS | BIONIQS LIMITED (GB) | 2007-06-07 | — | — | WO | disclosed |
| US-4430380-A | MELAMINE-FORMALDEHYDE CONDENSATE, AMIDOSULFONATE | CASSELLA AKTIENGESELLSCHAFT (DE) | 1984-02-07 | — | — | US | disclosed |