⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21582872 | 0.44 | — | — | |
| SCHEMBL15258899 | 0.39 | — | — | |
| SCHEMBL777732 | 0.39 | — | — | |
| SCHEMBL8402347 | 0.37 | — | — | |
| SCHEMBL8405257 | 0.37 | — | — | |
| SCHEMBL143638 | 0.37 | — | — | |
| SCHEMBL2464867 | 0.37 | — | — | |
| SCHEMBL8176504 | 0.37 | MEN1 (0.43) | — | |
| Methane SCHEMBL23044967 | 0.28 | — | — | |
| Ammonia Solution, Strong SCHEMBL5184525 | 0.28 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443937-B1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | ORTHO MCNEIL PHARM INC (US) | 2008-06-18 | — | — | EP | claimed |
| US-7067512-B2 | Substituted 1,4-benzodiazepines and uses thereof | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2006-06-27 | — | — | US | claimed |
| EP-1443937-A1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2004-08-11 | — | — | EP | claimed |
| US-20030109518-A1 | Substituted 1,4-benzodiazepines and uses thereof | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-12 | — | — | US | claimed |
| WO-2003041715-A1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | WO | claimed |
| EP-1443937-B1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | ORTHO MCNEIL PHARM INC (US) | 2008-06-18 | — | — | EP | disclosed |
| US-20060148792-A1 | Substituted 1,4-benzodiazepines and uses thereof | LU TIANBAO | 2006-07-06 | — | — | US | disclosed |
| US-7067512-B2 | Substituted 1,4-benzodiazepines and uses thereof | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2006-06-27 | — | — | US | disclosed |
| EP-1443937-A1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2004-08-11 | — | — | EP | disclosed |
| US-20030109518-A1 | Substituted 1,4-benzodiazepines and uses thereof | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-12 | — | — | US | disclosed |
| WO-2003041715-A1 | SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | WO | disclosed |