⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7207658 | 1.00 | — | — | |
| SCHEMBL3454057 | 1.00 | — | — | |
| SCHEMBL5826259 | 0.78 | LDHA (0.38) | — | |
| SCHEMBL30342067 | 0.78 | FNTA (0.46) | — | |
| SCHEMBL28052059 | 0.78 | MGAM (0.36) | — | |
| Malonic Acid SCHEMBL28931101 | 0.78 | LDHA (0.60) | — | |
| SCHEMBL1785020 | 0.78 | — | — | |
| SCHEMBL1785021 | 0.78 | — | — | |
| SCHEMBL15693960 | 0.77 | LDHA (0.42) | — | |
| SCHEMBL2515071 | 0.77 | KDM4E (0.50) | — |
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-9409910-B2 | Azepino[4,5-B]indoles and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20140088087-A1 | AZEPINO[4,5-B]INDOLES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-20100152163-A1 | AZEPINO[4,5-B]INDOLES AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. | 2010-06-17 | — | — | US | disclosed |
| EP-0144252-B1 | PROCESS FOR THE OXYACYLATION OF BUTENES TO LINEAR ACETATES | Sun Refining and Marketing Company (US) | 1991-09-11 | — | — | EP | disclosed |
| US-4602103-A | PALLADIUM CATALYSTS | SUN REFINING AND MARKETING COMPANY (US) | 1986-07-22 | — | — | US | disclosed |
| EP-0144252-A1 | Process for the oxyacylation of butenes to linear acetates | Sun Refining and Marketing Company (US) | 1985-06-12 | — | — | EP | disclosed |