⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31602039 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL6050286 | 0.74 | — | — | |
| SCHEMBL14890359 | 0.73 | TDP1 (0.58) | — | |
| SCHEMBL442212 | 0.73 | — | — | |
| SCHEMBL120640 | 0.73 | — | — | |
| SCHEMBL7344651 | 0.73 | — | — | |
| SCHEMBL3929947 | 0.72 | PAOX (0.38) | — | |
| Potassium SCHEMBL3894343 | 0.71 | TDP1 (0.55) | — | |
| SCHEMBL77671 | 0.71 | TDP1 (0.55) | — | |
| SCHEMBL8168202 | 0.71 | — | — |
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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167492-A2 | NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS | Hanmi Pharm. Co., Ltd. (KR) | 2010-03-31 | — | — | EP | claimed |
| WO-2008150118-A2 | NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS | HANMI PHARM. CO., LTD. (KR) | 2008-12-11 | — | — | WO | claimed |
| EP-0790986-B1 | ANILINE DERIVATIVES | ZENECA LTD (GB) | 1999-01-20 | — | — | EP | claimed |
| US-5821246-A | USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER | ZENECA LIMITED (GB) | 1998-10-13 | — | — | US | claimed |
| WO-1998025885-A1 | ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1998-06-18 | — | — | WO | claimed |
| EP-0790986-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1997-08-27 | — | — | EP | claimed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | claimed |
| US-8796294-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-08-05 | — | — | US | disclosed |
| US-8754092-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-06-17 | — | — | US | disclosed |
| EP-2527330-A1 | Inhibitors of the hedgehog pathway | Exelixis, Inc. (US) | 2012-11-28 | — | — | EP | disclosed |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-27 | — | — | US | disclosed |
| US-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-20 | — | — | US | disclosed |
| US-8242103-B2 | Sulphamides for treatment of cancer | MERCK SHARP & DOHME LIMITED (GB) | 2012-08-14 | — | — | US | disclosed |
| WO-1997030034-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | ZENECA LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |
| US-5616582-A | Use as anticancer agents; e.g. gefitinib | ZENECA LIMITED (GB) | 1997-04-01 | — | — | US | disclosed |
| EP-0757682-A1 | BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |
| WO-1996015118-A1 | ANILINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-05-23 | — | — | WO | disclosed |
| WO-1995029907-A1 | BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-11-09 | — | — | WO | disclosed |
| US-5457105-A | anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) | ZENECA LIMITED (GB) | 1995-10-10 | — | — | US | disclosed |
| EP-0566226-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1993-10-20 | — | — | EP | disclosed |