⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3688407 | 1.00 | — | — | |
| SCHEMBL9576796 | 0.80 | — | — | |
| SCHEMBL8465155 | 0.72 | — | — | |
| SCHEMBL449043 | 0.69 | — | — | |
| SCHEMBL525718 | 0.69 | — | — | |
| SCHEMBL8164366 | 0.67 | — | — | |
| SCHEMBL3887277 | 0.66 | — | — | |
| SCHEMBL14718645 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9233653 | 0.66 | — | — | |
| SCHEMBL21356236 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030134999-A1 | Method for polymerizing conjugated diolefins (dienes) with rare earth catalysts in the presence of vinylaromatic solvents | WINDISCH HEIKE (DE) | 2003-07-17 | — | — | US | disclosed |
| EP-1025136-B1 | CATALYST WITH A BASE CONSISTING OF COMPOUNDS OF THE RARE EARTH METALS FOR POLYMERISING UNSATURATED ORGANIC COMPOUNDS | BAYER AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| EP-1078939-A2 | Process for copolymerisation of conjugated dienes and vinylaromatic monomers in presence of a catalyst containing a rare earth and the use of the copolymerisate in a rubber composition for a tire | BAYER AG (DE) | 2001-02-28 | — | — | EP | disclosed |
| EP-1025136-A1 | CATALYST WITH A BASE CONSISTING OF COMPOUNDS OF THE RARE EARTH METALS FOR POLYMERISING UNSATURATED ORGANIC COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999020670-A1 | CATALYST WITH A BASE CONSISTING OF COMPOUNDS OF THE RARE EARTH METALS FOR POLYMERISING UNSATURATED ORGANIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-04-29 | — | — | WO | disclosed |
| US-5245064-A | Catlaysis | GASSMAN PAUL G (US) | 1993-09-14 | — | — | US | disclosed |