⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28047878 | 0.77 | — | — | |
| SCHEMBL27882958 | 0.74 | — | — | |
| SCHEMBL901128 | 0.71 | ESR2 (0.31) | — | |
| SCHEMBL14879909 | 0.71 | ESR2 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28327714 | 0.69 | — | — | |
| SCHEMBL27446512 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL3635389 | 0.66 | — | — | |
| SCHEMBL180087 | 0.65 | — | — | |
| SCHEMBL6206708 | 0.63 | GAA (0.35) | — | |
| SCHEMBL6206710 | 0.63 | GAA (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428747-A | Substituted pyridobenzodiazepine ketone derivative and use thereof | 拜耳制药股份公司 | 2017-12-01 | — | — | CN | disclosed |
| WO-2007092391-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME | ACADIA PHARMACEUTICALS INC. (US) | 2007-08-16 | — | — | WO | disclosed |
| EP-1756101-A2 | ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME | Acadia Pharmaceuticals Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005115361-A2 | ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME | ACADIA PHARMACEUTICALS INC. (US) | 2005-12-08 | — | — | WO | disclosed |
| US-20030105102-A1 | Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity | GUILFORD PHARMACEUTICALS INC. | 2003-06-05 | — | — | US | disclosed |
| US-20020022636-A1 | OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. | 2002-02-21 | — | — | US | disclosed |
| US-6235748-B1 | CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS | GUILFORD PHARMACEUTICALS INC. | 2001-05-22 | — | — | US | disclosed |
| EP-1009739-A2 | OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999011624-A1 | OXO-SUBSTITUTED COMPOUNDS, PROCESS OF MAKING, AND COMPOSITIONS AND METHODS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | disclosed |