⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2103232 | 1.00 | — | — | |
| SCHEMBL303054 | 1.00 | — | — | |
| SCHEMBL4800650 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL6519587 | 0.97 | TSHR (0.42) | — | |
| SCHEMBL6468322 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL6523128 | 0.80 | TSHR (0.34) | — | |
| SCHEMBL4297438 | 0.80 | SLC18A3 (0.40) | — | |
| SCHEMBL779515 | 0.78 | SLC18A3 (0.43) | — | |
| SCHEMBL1929909 | 0.77 | SLC18A3 (0.41) | — | |
| SCHEMBL17054528 | 0.73 | MAOB (0.33) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | claimed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | claimed |
| CN-1989131-A | Substituted thiophene derivatives as anti-cancer agents | CHIRON CORP (US) | 2007-06-27 | — | — | CN | claimed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | claimed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | claimed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | claimed |
| CN-108884029-B | LSD1 inhibitors | 米拉蒂医疗股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| US-9809541-B2 | LSD1 inhibitors | Mirati Therapeutics, Inc. (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170183308-A1 | LSD1 Inhibitors | Mirati Therapeutics, Inc. (US) | 2017-06-29 | — | — | US | disclosed |
| EP-2307390-B1 | THIADIAZOLYLOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2014-01-22 | — | — | EP | disclosed |
| US-8334235-B2 | Thiadiazolyloxyphenylamidines and use thereof as fungicides | BAYER CROPSCIENCE AG (DE) | 2012-12-18 | — | — | US | disclosed |
| US-20110183974-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) | 2011-07-28 | — | — | US | disclosed |
| US-20110152080-A1 | THIADIAZOLYLOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |
| WO-2010014921-A2 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-02-04 | — | — | WO | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| CN-1989131-A | Substituted thiophene derivatives as anti-cancer agents | CHIRON CORP (US) | 2007-06-27 | — | — | CN | disclosed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | disclosed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | disclosed |