⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1034862 | 0.67 | — | — | |
| SCHEMBL4580944 | 0.67 | — | — | |
| SCHEMBL3265923 | 0.64 | NOS1 (0.31) | — | |
| SCHEMBL1034863 | 0.62 | — | — | |
| SCHEMBL10806119 | 0.59 | — | — | |
| SCHEMBL8788815 | 0.59 | NOS3 (0.33) | — | |
| SCHEMBL3267353 | 0.58 | MME (0.36) | — | |
| SCHEMBL1034845 | 0.54 | — | — | |
| SCHEMBL15046729 | 0.52 | — | — | |
| SCHEMBL10952924 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040142451-A1 | Supramolecular pairing system, its preparation and use | NANOGEN RECOGNOMICS GMBH (DE) | 2004-07-22 | — | — | US | claimed |
| US-20080166712-A1 | Gene detection method | PANASONIC CORPORATION (JP) | 2008-07-10 | — | — | US | disclosed |
| CN-1174838-A | Taxusane phosphonic oxygen methyl ether derivant | BRISTOL MYERS SQUIBB CO (US) | 1998-03-04 | — | — | CN | disclosed |