⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4619574 | 0.74 | — | — | |
| SCHEMBL1782458 | 0.74 | — | — | |
| SCHEMBL14414890 | 0.74 | — | — | |
| SCHEMBL791247 | 0.72 | — | — | |
| SCHEMBL28946094 | 0.70 | — | — | |
| SCHEMBL1782406 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL10951990 | 0.70 | — | — | |
| SCHEMBL14315015 | 0.70 | — | — | |
| SCHEMBL8883510 | 0.70 | — | — | |
| SCHEMBL29767377 | 0.70 | AKR1B1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7186782-B2 | Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2007-03-06 | — | — | US | disclosed |
| US-20060041079-A1 | Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer | TSRC CORPORATION | 2006-02-23 | — | — | US | disclosed |
| US-6881797-B2 | Process for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2005-04-19 | — | — | US | disclosed |
| US-20040082727-A1 | Process for hydrogenation of conjugated diene polymer | TSRC CORPORATION (CN) | 2004-04-29 | — | — | US | disclosed |
| US-4164511-A | Manufacture of N-arylglycinonitriles | BASF AKTIENGESELLSCHAFT (DE) | 1979-08-14 | — | — | US | disclosed |