⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2525984 | 0.93 | PDCD1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31386845 | 0.92 | PDCD1 (0.33) | — | |
| SCHEMBL7943368 | 0.92 | PDCD1 (0.33) | — | |
| SCHEMBL8679013 | 0.89 | — | — | |
| SCHEMBL8635298 | 0.89 | — | — | |
| SCHEMBL5400503 | 0.89 | — | — | |
| SCHEMBL6553568 | 0.89 | PDCD1 (0.31) | — | |
| SCHEMBL20496069 | 0.89 | PDCD1 (0.31) | — | |
| SCHEMBL21980379 | 0.88 | PDCD1 (0.30) | — | |
| SCHEMBL5380513 | 0.87 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | claimed |
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5767300-A | Metallocene compound | TARGOR GMBH (DE) | 1998-06-16 | — | — | US | disclosed |
| US-5693730-A | METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |
| US-5612428-A | CATALYTIC POLYMERIZATION WITH COORDINATION COMPLEXES WITH GROUP IVB METALS AND COCATALYSTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5576260-A | POLYMERIZATION CATALYSTS FOR OLEFINS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-19 | — | — | US | disclosed |
| US-5532396-A | HAS TWO INDENYL LIGANDS WITH DIFFERENT SUBSTITUTION PATTERNS ON THE SIX-MEMBERED RINGS. LIGANDS ARE JOINED BY DIVALENT GROUP CONNECTING FIVE-MEMBERED RINGS. METAL IS FROM GROUP /IVB/, /VB/ OR /VIB/. OLEFIN POLYMERIZATION CATALYST | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |