⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4854850 | 0.79 | — | — | |
| SCHEMBL22720598 | 0.78 | — | — | |
| SCHEMBL21811596 | 0.78 | — | — | |
| SCHEMBL398403 | 0.78 | — | — | |
| SCHEMBL451580 | 0.78 | — | — | |
| SCHEMBL17499833 | 0.76 | TDP1 (0.43) | — | |
| SCHEMBL971092 | 0.76 | — | — | |
| SCHEMBL1242999 | 0.74 | OR51E2 (0.33) | — | |
| SCHEMBL5654012 | 0.74 | — | — | |
| SCHEMBL3747628 | 0.74 | LCK (0.50) | — |
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-0970141-A1 | ZERO VOLATILE ORGANIC COMPOUND COMPOSITIONS BASED UPON ORGANIC SOLVENTS WHICH ARE NEGLIGIBLY REACTIVE WITH HYDROXYL RADICAL AND DO NOT CONTRIBUTE APPRECIABLY TO THE FORMATION OF GROUND BASED OZONE | Advanced Chemical Design, Inc. (US) | 2000-01-12 | — | — | EP | claimed |
| WO-1998042774-A1 | ZERO VOLATILE ORGANIC COMPOUND COMPOSITIONS BASED UPON ORGANIC SOLVENTS WHICH ARE NEGLIGIBLY REACTIVE WITH HYDROXYL RADICAL AND DO NOT CONTRIBUTE APPRECIABLY TO THE FORMATION OF GROUND BASED OZONE | ADVANCED CHEMICAL DESIGN, INC. (US) | 1998-10-01 | — | — | WO | claimed |
| EP-0970141-A1 | ZERO VOLATILE ORGANIC COMPOUND COMPOSITIONS BASED UPON ORGANIC SOLVENTS WHICH ARE NEGLIGIBLY REACTIVE WITH HYDROXYL RADICAL AND DO NOT CONTRIBUTE APPRECIABLY TO THE FORMATION OF GROUND BASED OZONE | Advanced Chemical Design, Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042774-A1 | ZERO VOLATILE ORGANIC COMPOUND COMPOSITIONS BASED UPON ORGANIC SOLVENTS WHICH ARE NEGLIGIBLY REACTIVE WITH HYDROXYL RADICAL AND DO NOT CONTRIBUTE APPRECIABLY TO THE FORMATION OF GROUND BASED OZONE | ADVANCED CHEMICAL DESIGN, INC. (US) | 1998-10-01 | — | — | WO | disclosed |