⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26393 | 0.76 | — | — | |
| SCHEMBL10931541 | 0.75 | — | — | |
| SCHEMBL994752 | 0.73 | — | — | |
| Fluoride SCHEMBL27557296 | 0.73 | — | — | |
| SCHEMBL196432 | 0.71 | — | — | |
| SCHEMBL28696576 | 0.71 | — | — | |
| SCHEMBL16014762 | 0.71 | — | — | |
| SCHEMBL891825 | 0.71 | — | — | |
| SCHEMBL28849861 | 0.71 | — | — | |
| SCHEMBL12475179 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4225705-A | QUATERNIZATION OF A BENZOTHIAZOLE, CONDENSED WITH A BENZOTHIAZOLIUM BETAINE | BADER HENRY | 1980-09-30 | — | — | US | disclosed |
| US-4056562-A | 3,5-Bisoxygenated 2-(ω-halo-3-oxygenated-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof | G. D. SEARLE & CO. (US) | 1977-11-01 | — | — | US | disclosed |
| US-4041050-A | 3,5-Bisoxygenated 2-(ω-halo-3-oxo-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof | G. D. SEARLE & CO. (US) | 1977-08-09 | — | — | US | disclosed |
| US-3997588-A | 3,5-Bisoxygenated 2-(ω-halo-3-oxygenated-1-alkenyl)-cyclopentane-1-heptanoic acids and derivatives thereof | G. D. SEARLE & CO. (US) | 1976-12-14 | — | — | US | disclosed |