⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5591553 | 0.96 | — | — | |
| Isopropylhydroxylamine SCHEMBL64261 | 0.70 | — | — | |
| SCHEMBL22190215 | 0.70 | — | — | |
| SCHEMBL14498523 | 0.67 | — | — | |
| SCHEMBL17278948 | 0.67 | — | — | |
| Isopropylhydroxylamine SCHEMBL26630700 | 0.67 | — | — | |
| Isopropylhydroxylamine SCHEMBL245852 | 0.67 | — | — | |
| SCHEMBL4538387 | 0.67 | — | — | |
| SCHEMBL16596781 | 0.67 | — | — | |
| SCHEMBL590442 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150024972-A1 | SELECTIVE NUCLEIC ACID AMPLIFICATION FROM NUCLEIC ACID POOLS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-01-22 | — | — | US | disclosed |