⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14279743 | 0.67 | — | — | |
| Methylene Chloride SCHEMBL28239270 | 0.60 | — | — | |
| SCHEMBL8317224 | 0.59 | — | — | |
| SCHEMBL1960310 | 0.59 | — | — | |
| SCHEMBL4083415 | 0.59 | — | — | |
| SCHEMBL4548057 | 0.59 | — | — | |
| SCHEMBL1416539 | 0.59 | — | — | |
| SCHEMBL10028832 | 0.56 | — | — | |
| SCHEMBL16900657 | 0.56 | — | — | |
| SCHEMBL9605054 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010094242-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2010-08-26 | — | — | WO | disclosed |
| US-4006157-A | Process for the preparation of 1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |