⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL940428 | 1.00 | — | — | |
| SCHEMBL8561316 | 1.00 | — | — | |
| SCHEMBL10437498 | 0.90 | — | — | |
| SCHEMBL155021 | 0.88 | — | — | |
| SCHEMBL27930890 | 0.85 | LMNA (0.64) | — | |
| SCHEMBL7153546 | 0.82 | LMNA (0.54) | — | |
| SCHEMBL7644910 | 0.80 | LMNA (0.73) | — | |
| Ethohexadiol SCHEMBL38007 | 0.80 | LMNA (1.00) | — | |
| Ethohexadiol SCHEMBL6282991 | 0.80 | LMNA (1.00) | — | |
| SCHEMBL19493226 | 0.80 | LMNA (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5837868-A | REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE | ABBOTT LABORATORIES (US) | 1998-11-17 | — | — | US | disclosed |
| US-5703244-A | CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE | ABBOTT LABORATORIES (US) | 1997-12-30 | — | — | US | disclosed |