⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7290866 | 0.91 | CAPN1 (0.48) | — | |
| SCHEMBL310074 | 0.86 | — | — | |
| SCHEMBL1231894 | 0.77 | — | — | |
| SCHEMBL5662539 | 0.77 | — | — | |
| SCHEMBL3261127 | 0.77 | — | — | |
| SCHEMBL150899 | 0.77 | — | — | |
| SCHEMBL4686202 | 0.77 | — | — | |
| SCHEMBL724247 | 0.76 | CAPN1 (0.46) | — | |
| SCHEMBL1162272 | 0.75 | — | — | |
| SCHEMBL1278387 | 0.75 | CAPN1 (0.59) | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1381599-A1 | QUINAZOLINE DERIVATIVES | Astrazeneca AB (SE) | 2004-01-21 | — | — | EP | claimed |
| WO-2002085895-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2002-10-31 | — | — | WO | claimed |
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | disclosed |
| US-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2019-01-08 | — | — | US | disclosed |
| EP-3091019-A2 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2016-11-09 | — | — | EP | disclosed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | disclosed |
| EP-2486039-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER (US) | 2016-06-01 | — | — | EP | disclosed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| US-20130184313-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-07-18 | — | — | US | disclosed |
| US-20130184313-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-07-18 | — | — | US | disclosed |
| US-20130184313-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2013-07-18 | — | — | US | disclosed |
| EP-1944301-A1 | NOVEL BENZOXATHIIN DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-07-16 | — | — | EP | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |
| EP-1537091-A1 | NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004020420-A1 | NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-03-11 | — | — | WO | disclosed |
| WO-2003053960-A2 | QUINLINE DERIVATES AND THEIR USE AS MEK INHIBITORS | ASTRAZENECA AB (SE) | 2003-07-03 | — | — | WO | disclosed |
| WO-2003047582-A1 | QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003047585-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003047583-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS | ASTRAZENECA AB (SE) | 2003-06-12 | — | — | WO | disclosed |
| EP-0371732-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1990-06-06 | — | — | EP | disclosed |