⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL729837 | 0.84 | — | — | |
| Butane SCHEMBL472717 | 0.84 | CES2 (0.35) | — | |
| Butane SCHEMBL11209036 | 0.84 | CES2 (0.35) | — | |
| Butane SCHEMBL28286125 | 0.80 | — | — | |
| Butane SCHEMBL9400059 | 0.80 | — | — | |
| SCHEMBL175401 | 0.78 | — | — | |
| Butane SCHEMBL10634592 | 0.77 | TSHR (0.35) | — | |
| Butane SCHEMBL8769360 | 0.77 | — | — | |
| Butane SCHEMBL9320784 | 0.77 | CES2 (0.32) | — | |
| Benzene SCHEMBL14836869 | 0.74 | FFAR3 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5218088-A | Process for preparing dithiophosphate oligonucleotide analogs via nucleoside thiophosphoramidite intermediates | PURDUE RESEARCH FOUNDATION (US) | 1993-06-08 | — | — | US | disclosed |