⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3890753 | 0.70 | — | — | |
| SCHEMBL7055892 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL12821939 | 0.65 | — | — | |
| SCHEMBL6544838 | 0.65 | — | — | |
| SCHEMBL7106751 | 0.65 | — | — | |
| SCHEMBL8465368 | 0.64 | — | — | |
| SCHEMBL7102582 | 0.60 | — | — | |
| SCHEMBL3023624 | 0.60 | — | — | |
| SCHEMBL7053332 | 0.59 | — | — | |
| SCHEMBL7977764 | 0.58 | TAAR1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373284-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| US-6657027-B2 | Compounds in which a transition metal is complexed with two ligand systems that systems are reversibly bonded together by a bridge ofa donor and an acceptor; at least one fluorinated aryl radical; olefin polymerization catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-02 | — | — | US | disclosed |
| US-20030036474-A1 | Catalysts with a donor-acceptor interaction | LANXESS DEUTSCHLAND GMBH (DE) | 2003-02-20 | — | — | US | disclosed |
| WO-2002076999-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-03 | — | — | WO | disclosed |