⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2838003 | 0.72 | CHRM2 (0.30) | — | |
| SCHEMBL17799294 | 0.68 | — | — | |
| SCHEMBL10622888 | 0.67 | TDP1 (0.41) | — | |
| SCHEMBL2064367 | 0.65 | HPGD (0.33) | — | |
| Hydrochloric Acid SCHEMBL8480332 | 0.62 | CA2 (0.33) | — | |
| SCHEMBL2434403 | 0.62 | BTK (0.31) | — | |
| SCHEMBL6320796 | 0.62 | BTK (0.31) | — | |
| SCHEMBL2436431 | 0.61 | DGAT1 (0.38) | — | |
| SCHEMBL9554578 | 0.61 | — | — | |
| SCHEMBL4011681 | 0.61 | HPGD (0.30) | — |
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-6991902-B2 | Nucleobase heterocyclic combinatorialization | ISIS PHARMACEUTICALS, INC. (US) | 2006-01-31 | — | — | US | disclosed |
| US-20030003505-A1 | Nucleobase heterocyclic combinatorialization | ISIS PHARMACEUTICALS, INC. | 2003-01-02 | — | — | US | disclosed |
| US-20020009748-A1 | NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION | ISIS PHARMACEUTICALS, INC. | 2002-01-24 | — | — | US | disclosed |