⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2265161 | 1.00 | — | — | |
| SCHEMBL2265166 | 1.00 | — | — | |
| SCHEMBL15592939 | 1.00 | — | — | |
| SCHEMBL2266816 | 0.79 | HTT (0.39) | — | |
| SCHEMBL2266811 | 0.79 | HTT (0.39) | — | |
| SCHEMBL2266817 | 0.79 | HTT (0.39) | — | |
| SCHEMBL27623600 | 0.77 | NPSR1 (0.48) | — | |
| SCHEMBL18281655 | 0.76 | TRPA1 (0.40) | — | |
| SCHEMBL18281654 | 0.76 | TRPA1 (0.40) | — | |
| SCHEMBL18281653 | 0.76 | TRPA1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10676432-B2 | Methods of producing molindone and its salts | SUPERNUS PHARMACEUTICALS, INC. (US) | 2020-06-09 | — | — | US | claimed |
| US-20190218179-A1 | METHODS OF PRODUCING MOLINDONE AND ITS SALTS | SUPERNUS PHARMACEUTICALS, INC. (US) | 2019-07-18 | — | — | US | claimed |
| US-7781480-B2 | Indole derivatives and their metal conjugates and uses thereof | VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) | 2010-08-24 | — | — | US | disclosed |
| US-20080242652-A1 | Indole derivatives and their metal conjugates and uses thereof | VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) | 2008-10-02 | — | — | US | disclosed |
| WO-1991000729-A2 | BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0409499-A2 | Pharmaceutical compositions | BTG INTERNATIONAL LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |