⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11208446 | 0.98 | HRH3 (0.44) | — | |
| SCHEMBL27898974 | 0.87 | HRH3 (0.47) | — | |
| SCHEMBL27289364 | 0.86 | — | — | |
| SCHEMBL28763438 | 0.86 | — | — | |
| SCHEMBL27666136 | 0.85 | HRH3 (0.46) | — | |
| SCHEMBL27711465 | 0.85 | HRH3 (0.46) | — | |
| Bromide SCHEMBL29093843 | 0.84 | — | — | |
| SCHEMBL7491910 | 0.81 | — | — | |
| SCHEMBL7704486 | 0.81 | HRH3 (0.53) | — | |
| SCHEMBL4708069 | 0.81 | HRH3 (0.47) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | 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 |
| 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-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | disclosed |
| EP-2934145-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals Inc (US) | 2015-10-28 | — | — | EP | disclosed |
| CN-104487496-A | Materials coated with calixarenes | UNIV LIBRE DE BRUXELLES ULB | 2015-04-01 | — | — | CN | disclosed |
| WO-2014100463-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| US-20120208806-A1 | Hsp90 Inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-08-16 | — | — | US | disclosed |
| WO-2010018134-A1 | NOVEL ADENINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-18 | — | — | WO | disclosed |
| EP-1100497-B1 | HETEROCYCLYL SULPHONAMIDE DERIVATIVES | LILLY CO ELI (US) | 2004-05-12 | — | — | EP | disclosed |
| US-6358982-B1 | FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| EP-1100497-A4 | HETEROCYCLYL SULPHONAMIDE DERIVATIVES | LILLY CO ELI (US) | 2001-09-12 | — | — | EP | disclosed |
| EP-1100497-A1 | HETEROCYCLYL SULPHONAMIDE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006158-A1 | HETEROCYCLYL SULPHONAMIDE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |