⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6112855 | 0.72 | CYP1A2 (0.45) | — | |
| SCHEMBL23521394 | 0.72 | CYP1A2 (0.45) | — | |
| SCHEMBL9609723 | 0.70 | CYP1A2 (0.30) | — | |
| SCHEMBL7063450 | 0.70 | CYP1A2 (0.30) | — | |
| SCHEMBL465221 | 0.70 | — | — | |
| SCHEMBL23521408 | 0.68 | CYP1A2 (0.48) | — | |
| SCHEMBL6115771 | 0.67 | — | — | |
| SCHEMBL7090715 | 0.66 | — | — | |
| SCHEMBL17766148 | 0.66 | CYP1A2 (0.52) | — | |
| SCHEMBL18458681 | 0.66 | SHBG (0.32) | — |
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-2643330-A1 | METAL - CATALYZED MONO - HYDROSILYLATION OF POLYUNSATURATED COMPOUNDS | Momentive Performance Materials Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2643329-A2 | IN-SITU ACTIVATION OF METAL COMPLEXES USED AS HYDROSILYLATION CATALYSTS | Momentive Performance Materials Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012071360-A1 | METAL - CATALYZED MONO - HYDROSILYLATION OF POLYUNSATURATED COMPOUNDS | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012071358-A2 | IN-SITU ACTIVATION OF METAL COMPLEXES CONTAINING TERDENTATE NITROGEN LIGANDS USED AS HYDROSILYLATION CATALYSTS | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2012-05-31 | — | — | WO | disclosed |