⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4445120 | 0.79 | — | — | |
| SCHEMBL342085 | 0.74 | — | — | |
| SCHEMBL9068419 | 0.74 | — | — | |
| SCHEMBL9805300 | 0.72 | — | — | |
| SCHEMBL8806470 | 0.72 | — | — | |
| SCHEMBL1627121 | 0.72 | — | — | |
| SCHEMBL728389 | 0.70 | — | — | |
| SCHEMBL11597554 | 0.69 | — | — | |
| SCHEMBL10444992 | 0.67 | — | — | |
| SCHEMBL8639578 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114630825-A | Pesticidally active fused bicyclic heteroaromatic compounds | 先正达农作物保护股份公司 | 2022-06-14 | — | — | CN | disclosed |
| US-6599423-B2 | Novel closed-loop recycle schemes; VOCs and chloroethylenes, particularly trichloroethylene; separate and discrete process cycles; aerobic biodegradation | TENNESSEE VALLEY AUTHORITY | 2003-07-29 | — | — | US | disclosed |
| US-20030047508-A1 | High-efficiency processes for destruction of contaminats | TENNESSEE VALLEY AUTHORITY | 2003-03-13 | — | — | US | disclosed |
| US-6461510-B1 | BIODEGRADATION OF VOCS, TRICHLOROETHYLENE | TENNESSEE VALLEY AUTHORITY | 2002-10-08 | — | — | US | disclosed |