⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7416135 | 0.76 | — | — | |
| SCHEMBL808481 | 0.76 | GRM6 (0.30) | — | |
| SCHEMBL39621 | 0.76 | — | — | |
| SCHEMBL7569651 | 0.76 | — | — | |
| SCHEMBL22410460 | 0.75 | — | — | |
| SCHEMBL4283796 | 0.75 | — | — | |
| SCHEMBL7478021 | 0.75 | — | — | |
| SCHEMBL8847151 | 0.75 | — | — | |
| SCHEMBL1993413 | 0.75 | — | — | |
| SCHEMBL5433597 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111556872-A | Synthesis of boronic ester derivatives and uses thereof | 梅琳塔治疗公司 | 2020-08-18 | — | — | CN | disclosed |
| EP-1352731-A2 | Method of orienting polymer molecules | MISSISSIPPI POLYMER TECHNOLOGIES, INC. (US) | 2003-10-15 | — | — | EP | disclosed |
| EP-0629217-B1 | RIGID-ROD POLYMERS | MISSISSIPPI POLYMER TECHNOLOGI (US) | 2003-05-07 | — | — | EP | disclosed |
| US-3971863-A | Coated heat fusible injection moldable phenol-aldehyde pellets | GENERAL ELECTRIC COMPANY (US) | 1976-07-27 | — | — | US | disclosed |