⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6856683 | 1.00 | — | — | |
| SCHEMBL28670833 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL13144654 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL9846205 | 0.77 | — | — | |
| SCHEMBL9846201 | 0.77 | — | — | |
| SCHEMBL1669067 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL8320863 | 0.75 | KEAP1 (0.33) | — | |
| SCHEMBL27694843 | 0.75 | KEAP1 (0.33) | — | |
| SCHEMBL4903558 | 0.75 | — | — | |
| SCHEMBL15750768 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080306041-A1 | Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use | NICOX S.A. (FR) | 2008-12-11 | — | — | US | disclosed |
| US-20080300292-A1 | Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders | NITROMED, INC (US) | 2008-12-04 | — | — | US | disclosed |
| US-20070010571-A1 | Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-01-11 | — | — | US | disclosed |
| US-6790644-B2 | ISOLATED FROM ACINETOBACTER JOHNSONII, WHICH DECONTAMINATES/ METABOLIZES ACETYLACETONE | BIOCATALYTICS, INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030148487-A1 | 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme | CODEXIS, INC. | 2003-08-07 | — | — | US | disclosed |