⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10608676 | 0.61 | CTSD (0.30) | — | |
| SCHEMBL2230540 | 0.60 | CTSD (0.43) | — | |
| SCHEMBL8680784 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL8678702 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL8846017 | 0.60 | — | — | |
| SCHEMBL5705593 | 0.60 | — | — | |
| SCHEMBL8554251 | 0.60 | CTSD (0.33) | — | |
| SCHEMBL8680683 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL8676052 | 0.60 | CTSD (0.33) | — | |
| SCHEMBL8677146 | 0.60 | CTSD (0.33) | — |
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-6706830-B2 | POLYMERISATION OF THE CONJUGATED DIOLEFINS AND NON-CONJUGATED OLEFINS IS CARRIED OUT IN THE PRESENCE OF CATALYSTS COMPRISING ALLYL COMPLEXES OF THE RARE EARTH METALS IN COMBINATION WITH CO-CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |
| US-20030162920-A1 | Copolymerisation of conjugated dienes with non-conjugated olefins by means of rare earth catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-28 | — | — | US | disclosed |
| US-6365537-B1 | USED FOR THE POLYMERISATION OF UNSATURATED COMPOUNDS, ESPECIALLY OF CONJUGATED DIENES | BAYER AG (DE) | 2002-04-02 | — | — | US | disclosed |