⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12879482 | 0.80 | — | — | |
| SCHEMBL6007420 | 0.71 | — | — | |
| SCHEMBL16740683 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL7598012 | 0.67 | — | — | |
| SCHEMBL15967752 | 0.65 | — | — | |
| SCHEMBL3976261 | 0.65 | — | — | |
| SCHEMBL14129166 | 0.65 | CYP3A4 (0.30) | — | |
| SCHEMBL16602995 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL2272569 | 0.63 | — | — | |
| SCHEMBL2261674 | 0.62 | — | — |
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-9181356-B2 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORPORATION (TW) | 2015-11-10 | — | — | US | disclosed |
| EP-2316862-B1 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORP (TW) | 2013-12-25 | — | — | EP | disclosed |
| CN-101829600-B | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORP | 2012-08-29 | — | — | CN | disclosed |
| US-20110105694-A1 | HYDROGENATION CATALYST COMPOSITION AND HYDROGENATION METHOD THEREOF | TSRC CORPORATION (TW) | 2011-05-05 | — | — | US | disclosed |
| EP-2316862-A1 | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC Corporation (TW) | 2011-05-04 | — | — | EP | disclosed |
| CN-101829600-A | Hydrogenation catalyst composition and hydrogenation method thereof | TSRC CORP | 2010-09-15 | — | — | CN | disclosed |