⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2027271 | 1.00 | — | — | |
| SCHEMBL34968 | 0.98 | ABCB11 (0.39) | — | |
| SCHEMBL28238039 | 0.98 | ABCB11 (0.39) | — | |
| Fluoride SCHEMBL28788477 | 0.98 | ABCB11 (0.39) | — | |
| Fluoride SCHEMBL28437282 | 0.98 | ABCB11 (0.39) | — | |
| Fluoride SCHEMBL26122977 | 0.98 | ABCB11 (0.39) | — | |
| Water SCHEMBL602793 | 0.96 | — | — | |
| Methane SCHEMBL2439799 | 0.96 | — | — | |
| SCHEMBL14841602 | 0.96 | — | — | |
| Iodide SCHEMBL17273623 | 0.96 | KDM4E (0.39) | — |
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-8629289-B2 | Method for the preparation of 1-acetyl-6-amino-3,3-dimethyl-2,3-dihydroindole | AMGEN INC. (US) | 2014-01-14 | — | — | US | disclosed |
| US-20120011886-A1 | IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS | E. I. DU PONT DE NEMOURS AND COMPANY | 2012-01-19 | — | — | US | disclosed |