⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL726042 | 0.96 | — | — | |
| Bromide SCHEMBL28224555 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL27559665 | 0.93 | — | — | |
| SCHEMBL31547836 | 0.93 | — | — | |
| SCHEMBL14995091 | 0.93 | — | — | |
| SCHEMBL28141915 | 0.84 | TSHR (0.32) | — | |
| Bicarbonate SCHEMBL22261442 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5527325 | 0.71 | — | — | |
| SCHEMBL6049013 | 0.71 | — | — | |
| SCHEMBL15403867 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230117791-A1 | SUBSTITUTED 1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-b]INDOLES FOR TREATING BRAIN DISORDERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-04-20 | — | — | US | disclosed |
| US-11254640-B2 | N-substituted indoles and other heterocycles for treating brain disorders | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-02-22 | — | — | US | disclosed |
| US-20210332012-A1 | N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION | 2021-10-28 | — | — | US | disclosed |