⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL314661 | 0.79 | — | — | |
| SCHEMBL1271021 | 0.79 | — | — | |
| SCHEMBL20658156 | 0.73 | — | — | |
| SCHEMBL7762949 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL1532592 | 0.73 | — | — | |
| SCHEMBL8637593 | 0.71 | — | — | |
| SCHEMBL175186 | 0.71 | — | — | |
| SCHEMBL8640330 | 0.71 | — | — | |
| SCHEMBL6562417 | 0.69 | — | — | |
| SCHEMBL13231944 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10618920-B2 | Functionalized particles having modified phases | AGILENT TECHNOLOGIES, INC. (US) | 2020-04-14 | — | — | US | disclosed |
| EP-3463645-A1 | FUNCTIONALIZED PARTICLES HAVING MODIFIED PHASES | Agilent Technologies, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017210223-A1 | FUNCTIONALIZED PARTICLES HAVING MODIFIED PHASES | AGILENT TECHNOLOGIES, INC. (US) | 2017-12-07 | — | — | WO | disclosed |
| US-20170349612-A1 | FUNCTIONALIZED PARTICLES HAVING MODIFIED PHASES | AGILENT TECHNOLOGIES, INC. | 2017-12-07 | — | — | US | disclosed |
| US-8277883-B2 | Porous silica microspheres having organosilane modified surfaces | AGILENT TECHNOLOGIES, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20090311533-A1 | POROUS SILICA MICROSPHERES HAVING ORGANOSILANE MODIFIED SURFACES | AGILENT TECHNOLOGIES, INC. | 2009-12-17 | — | — | US | disclosed |