⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL107487 | 1.00 | — | — | |
| SCHEMBL13967466 | 1.00 | — | — | |
| SCHEMBL222046 | 0.92 | — | — | |
| SCHEMBL5063975 | 0.92 | — | — | |
| SCHEMBL788181 | 0.92 | — | — | |
| SCHEMBL2196978 | 0.89 | KMT2A (0.52) | — | |
| SCHEMBL2195150 | 0.89 | KMT2A (0.52) | — | |
| SCHEMBL2864371 | 0.89 | KMT2A (0.52) | — | |
| SCHEMBL2196708 | 0.89 | KMT2A (0.52) | — | |
| SCHEMBL5374326 | 0.89 | KMT2A (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3157926-B1 | ORGANIC COMPOUNDS | INTRA CELLULAR THERAPIES INC (US) | 2019-05-15 | — | — | EP | disclosed |
| US-9884872-B2 | Organic compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2018-02-06 | — | — | US | disclosed |
| US-20170197974-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2017-07-13 | — | — | US | disclosed |
| EP-3157926-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| WO-2015196186-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-12-23 | — | — | WO | disclosed |
| US-4132726-A | INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS | TEIJIN LIMITED (JP) | 1979-01-02 | — | — | US | disclosed |