⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15241335 | 0.79 | — | — | |
| SCHEMBL15468760 | 0.73 | — | — | |
| SCHEMBL8774772 | 0.71 | — | — | |
| SCHEMBL14431436 | 0.69 | — | — | |
| SCHEMBL14302887 | 0.69 | — | — | |
| SCHEMBL15128228 | 0.69 | — | — | |
| Diethylaminoethanol SCHEMBL3114 | 0.67 | — | — | |
| SCHEMBL35602 | 0.67 | — | — | |
| Diethylaminoethanol SCHEMBL10699915 | 0.67 | — | — | |
| SCHEMBL20664122 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794565-B1 | HEPATITIS B ANTIVIRAL AGENTS | NOVIRA THERAPEUTICS INC (US) | 2017-07-26 | — | — | EP | disclosed |
| WO-2017088738-A1 | MODIFIED COMPOUND OF ANDROGRAPHOLIDE | 南京明德新药研发股份有限公司 | 2017-06-01 | — | — | WO | disclosed |
| EP-0801672-A1 | CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS | Colgate-Palmolive Company (US) | 1997-10-22 | — | — | EP | disclosed |
| WO-1996019552-A1 | CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS | COLGATE-PALMOLIVE COMPANY (US) | 1996-06-27 | — | — | WO | disclosed |