⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27471323 | 0.90 | — | — | |
| SCHEMBL181798 | 0.80 | — | — | |
| SCHEMBL24465008 | 0.80 | — | — | |
| SCHEMBL181797 | 0.80 | — | — | |
| SCHEMBL2631141 | 0.79 | — | — | |
| SCHEMBL13653023 | 0.77 | — | — | |
| SCHEMBL18654147 | 0.77 | — | — | |
| SCHEMBL22903920 | 0.77 | — | — | |
| SCHEMBL28910859 | 0.77 | TRPA1 (0.36) | — | |
| SCHEMBL23901119 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010001805-A1 | HYDROGENATION CATALYSTS AND PROCESSES THEREWITH | PHILLIPS PETROLEUM COMPANY | 2001-05-24 | — | — | US | disclosed |
| US-6127310-A | Palladium containing hydrogenation catalysts | PHILLIPS PETROLEUM COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| WO-1998037966-A1 | HYDROGENATION CATALYSTS FOR UNSATURATED HYDROCARBONS | PHILLIPS PETROLEUM COMPANY (US) | 1998-09-03 | — | — | WO | disclosed |