⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8651004 | 0.89 | — | — | |
| SCHEMBL8661698 | 0.87 | — | — | |
| SCHEMBL5570717 | 0.74 | — | — | |
| SCHEMBL8468784 | 0.74 | — | — | |
| SCHEMBL8466314 | 0.73 | — | — | |
| SCHEMBL5574139 | 0.73 | — | — | |
| SCHEMBL7631546 | 0.66 | CALM1 (0.38) | — | |
| SCHEMBL3890753 | 0.64 | — | — | |
| SCHEMBL25718172 | 0.62 | — | — | |
| SCHEMBL7055892 | 0.62 | — | — |
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-7169865-B2 | Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern | BAYER AKTIENGESELLSCHAFT (DE) | 2007-01-30 | — | — | US | disclosed |
| US-7169866-B2 | Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction | BAYER AKTIENGESELLSCHAFT (DE) | 2007-01-30 | — | — | US | disclosed |
| EP-1546165-A1 | TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN | Lanxess Deutschland GmbH (DE) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029065-A1 | TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN | LANXESS DEUTSCHLAND GMBH (DE) | 2004-04-08 | — | — | WO | disclosed |
| US-20040063877-A1 | Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction | LANXESS DEUTSCHLAND GMBH (DE) | 2004-04-01 | — | — | US | disclosed |
| US-20040059073-A1 | Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern | LANXESS DEUTSCHLAND GMBH (DE) | 2004-03-25 | — | — | US | disclosed |