⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907941 | 0.59 | — | — | |
| SCHEMBL2550391 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL4412661 | 0.57 | — | — | |
| SCHEMBL596207 | 0.56 | — | — | |
| SCHEMBL20014956 | 0.53 | — | — | |
| Aziridine SCHEMBL8068848 | 0.52 | HRH4 (0.44) | — | |
| SCHEMBL2661739 | 0.51 | NOS1 (1.00) | — | |
| SCHEMBL11766777 | 0.50 | HTR2C (0.42) | — | |
| SCHEMBL14465775 | 0.48 | — | — | |
| SCHEMBL267371 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100401-A1 | LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS | DICERNA PHARMACEUTICALS, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-0979226-A1 | ISOXAZOLE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998047880-A1 | ISOXAZOLE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1998-10-29 | — | — | WO | disclosed |