⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7835392 | 0.83 | TSHR (0.45) | — | |
| SCHEMBL17935751 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL2711997 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL24688765 | 0.74 | — | — | |
| SCHEMBL2711995 | 0.74 | — | — | |
| SCHEMBL11870679 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL5530926 | 0.72 | — | — | |
| SCHEMBL7846196 | 0.72 | — | — | |
| SCHEMBL11019633 | 0.72 | — | — | |
| SCHEMBL8653772 | 0.70 | TSHR (0.46) | — |
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-2268396-A2 | CATALYST FOR REACTING CARBOXYLIC ACID NITRILES | Evonik Röhm GmbH (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009130075-A2 | CATALYST FOR REACTING CARBOXYLIC ACID NITRILES | EVONIK RÖHM GMBH (DE) | 2009-10-29 | — | — | WO | disclosed |
| WO-2001060789-A1 | PROCESS FOR THE PRODUCTION OF METHIONINE | RHONE-POULENC ANIMAL NUTRITION (FR) | 2001-08-23 | — | — | WO | disclosed |
| WO-2001060788-A1 | PROCESS FOR THE PRODUCTION OF METHIONINE | RHONE-POULENC ANIMAL NUTRITION (FR) | 2001-08-23 | — | — | WO | disclosed |