⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL857489 | 0.64 | — | — | |
| SCHEMBL30617288 | 0.63 | HTT (0.39) | — | |
| SCHEMBL1892659 | 0.58 | KDM4E (0.46) | — | |
| SCHEMBL1892905 | 0.58 | HSD17B10 (0.34) | — | |
| SCHEMBL2006843 | 0.58 | — | — | |
| SCHEMBL9902755 | 0.58 | DYRK1A (0.39) | — | |
| SCHEMBL5751246 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL454744 | 0.58 | — | — | |
| SCHEMBL5069181 | 0.57 | — | — | |
| SCHEMBL16199860 | 0.57 | — | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| US-5635197-A | BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS | ELI LILLY AND COMPANY (US) | 1997-06-03 | — | — | US | disclosed |
| US-5629007-A | USING BENZOQUINOLIN-3-ONE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1997-05-13 | — | — | US | disclosed |
| US-5622961-A | PROSTATE CANCER, SKIN DISORDERS, BALDNESS | ELI LILLY AND COMPANY (US) | 1997-04-22 | — | — | US | disclosed |
| US-5622962-A | PROSTATE CANCER, SKIN DISORDERS, BALDNESS | ELI LILLY AND COMPANY (US) | 1997-04-22 | — | — | US | disclosed |
| US-5578724-A | INHIBITORS OF 5-ALPHA-REDUCTASE | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0742010-A2 | Benzoquinolin-3-ones to inhibit bone loss | ELI LILLY AND COMPANY (US) | 1996-11-13 | — | — | EP | disclosed |
| EP-0733365-A2 | Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer | ELI LILLY AND COMPANY (US) | 1996-09-25 | — | — | EP | disclosed |
| US-5550134-A | ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS | ELI LILLY AND COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1996009046-A1 | 5α-REDUCTASE INHIBITORS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | WO | disclosed |
| EP-0703221-A1 | 5 alpha-reductase Inhibitors | ELI LILLY AND COMPANY (US) | 1996-03-27 | — | — | EP | disclosed |