⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2413393 | 0.56 | — | — | |
| SCHEMBL2681665 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL6834925 | 0.55 | — | — | |
| Fluoride SCHEMBL1898729 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL557288 | 0.52 | — | — | |
| Bromide SCHEMBL557590 | 0.52 | — | — | |
| Bromide SCHEMBL2121618 | 0.52 | — | — | |
| SCHEMBL689547 | 0.52 | — | — | |
| SCHEMBL19088932 | 0.48 | — | — | |
| SCHEMBL23044740 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2855476-B1 | TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS | EISAI R&D MAN CO LTD (JP) | 2018-09-05 | — | — | EP | claimed |