⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1822614 | 0.78 | — | — | |
| SCHEMBL430912 | 0.73 | — | — | |
| SCHEMBL1821064 | 0.71 | — | — | |
| SCHEMBL27547276 | 0.67 | — | — | |
| SCHEMBL27653350 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28175797 | 0.65 | — | — | |
| SCHEMBL18669391 | 0.65 | — | — | |
| SCHEMBL27809508 | 0.65 | — | — | |
| SCHEMBL16396763 | 0.65 | — | — | |
| SCHEMBL11141211 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |