⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1504094 | 0.80 | — | — | |
| SCHEMBL3420283 | 0.74 | — | — | |
| SCHEMBL108911 | 0.73 | — | — | |
| SCHEMBL15966376 | 0.73 | — | — | |
| SCHEMBL5006941 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL8573344 | 0.70 | — | — | |
| Bromide SCHEMBL1234823 | 0.70 | — | — | |
| SCHEMBL8643182 | 0.70 | — | — | |
| SCHEMBL9680302 | 0.67 | — | — | |
| SCHEMBL2300235 | 0.67 | — | — |
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-4672110-A | WITH TRIALKYLPHOSPHINE OR TRIALKYLPHOSPHORAMIDE | NORTHWESTERN UNIVERSITY (US) | 1987-06-09 | — | — | US | claimed |
| US-5644048-A | Process for preparing phosphorothioate oligonucleotides | ISIS PHARMACEUTICALS, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| WO-1994019363-A1 | PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES | ISIS PHARMACEUTICALS, INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| US-5210264-A | S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester | ISIS PHARMACEUTICALS, INC. (US) | 1993-05-11 | — | — | US | disclosed |
| US-4672110-A | WITH TRIALKYLPHOSPHINE OR TRIALKYLPHOSPHORAMIDE | NORTHWESTERN UNIVERSITY (US) | 1987-06-09 | — | — | US | disclosed |