⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL667574 | 0.81 | — | — | |
| SCHEMBL14836577 | 0.74 | — | — | |
| SCHEMBL42915 | 0.74 | — | — | |
| SCHEMBL10421291 | 0.73 | — | — | |
| SCHEMBL269967 | 0.73 | — | — | |
| SCHEMBL14843176 | 0.73 | — | — | |
| SCHEMBL6462212 | 0.72 | — | — | |
| SCHEMBL9258970 | 0.71 | ACE2 (0.34) | — | |
| SCHEMBL13788284 | 0.71 | — | — | |
| SCHEMBL20381096 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |
| CN-1066706-C | Method for preparation of ether compound | KAO CORP (JP) | 2001-06-06 | — | — | CN | disclosed |
| CN-1148584-A | Method for preparation of ether compound | KAO CORP (JP) | 1997-04-30 | — | — | CN | disclosed |