⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1149320 | 0.79 | NUDT1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL4902386 | 0.77 | NUDT1 (0.30) | — | |
| SCHEMBL9512818 | 0.75 | — | — | |
| SCHEMBL29448377 | 0.75 | — | — | |
| SCHEMBL31443208 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL1236843 | 0.72 | ALDH1A1 (0.32) | — | |
| Ethylene Glycol SCHEMBL4902379 | 0.72 | — | — | |
| SCHEMBL284203 | 0.71 | — | — | |
| Guanidine SCHEMBL1317562 | 0.70 | NUDT1 (0.30) | — | |
| SCHEMBL2760756 | 0.70 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5721185-A | REACTING GROUP 4 OR LANTHANIDE METAL CYCLOPENTADIENYL COMPLEX WITH LEWIS ACID | THE DOW CHEMICAL COMPANY (US) | 1998-02-24 | — | — | US | claimed |
| CN-1031578-C | Homogeneous olfin polymerization catalyst by abstraction with borane | DOW CHEMICAL CO (US) | 1996-04-17 | — | — | CN | claimed |
| EP-0520732-B1 | Homogeneous olefin polymerization catalyst by ligand abstraction with lewis acids | DOW CHEMICAL CO (US) | 1995-12-06 | — | — | EP | claimed |
| EP-0520732-A1 | Homogeneous olefin polymerization catalyst by ligand abstraction with lewis acids | THE DOW CHEMICAL COMPANY (US) | 1992-12-30 | — | — | EP | claimed |
| US-4225483-A | Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | claimed |
| CN-109963852-B | Oxoisoquinoline derivatives | 卡尔那生物科学株式会社 | 2021-12-03 | — | — | CN | disclosed |
| CN-1213851-C | Method for producing moulded product with excellent blocking performance | KURARAY CO (JP) | 2005-08-10 | — | — | CN | disclosed |
| CN-1332080-A | Method for producing moulded product with excellent blocking performance | KURARAY CO (JP) | 2002-01-23 | — | — | CN | disclosed |
| US-5721185-A | REACTING GROUP 4 OR LANTHANIDE METAL CYCLOPENTADIENYL COMPLEX WITH LEWIS ACID | THE DOW CHEMICAL COMPANY (US) | 1998-02-24 | — | — | US | disclosed |
| CN-1031578-C | Homogeneous olfin polymerization catalyst by abstraction with borane | DOW CHEMICAL CO (US) | 1996-04-17 | — | — | CN | disclosed |
| EP-0520732-B1 | Homogeneous olefin polymerization catalyst by ligand abstraction with lewis acids | DOW CHEMICAL CO (US) | 1995-12-06 | — | — | EP | disclosed |
| EP-0520732-A1 | Homogeneous olefin polymerization catalyst by ligand abstraction with lewis acids | THE DOW CHEMICAL COMPANY (US) | 1992-12-30 | — | — | EP | disclosed |
| US-4225483-A | Boric acid esters and oxetanes for stabilizing phosphite-free polycarbonates | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-30 | — | — | US | disclosed |