⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6860432 | 0.94 | — | — | |
| SCHEMBL4155313 | 0.94 | — | — | |
| SCHEMBL12748099 | 0.86 | — | — | |
| SCHEMBL13813580 | 0.76 | — | — | |
| SCHEMBL2056417 | 0.76 | — | — | |
| SCHEMBL365404 | 0.76 | — | — | |
| SCHEMBL13742349 | 0.76 | — | — | |
| SCHEMBL13811114 | 0.76 | — | — | |
| SCHEMBL13696248 | 0.76 | — | — | |
| SCHEMBL13272383 | 0.76 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023195027-A1 | PROCESS FOR THE PREPARATION OF 4-((6BR,10AS)-3-METHYL-2,3,6B,9,10,10A-HEXAHYDRO-1H,7H-PYRIDO[3',4':4,5]PYRROLO[1,2,3-DE]QUINOXALIN-8-YL)-1-(4-FLUORO-PHENYL)-BUTAN-1-ONE AND INTERMEDIATES THEREOF | MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023178280-A2 | COMPOSITIONS AND METHODS FOR MODULATING ALPHA-SYNUCLEIN EXPRESSION | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2023-09-21 | — | — | WO | disclosed |
| US-20210108009-A1 | METHOD FOR PRODUCING ALICYCLIC ACRYLATE DERIVATIVE | SONGWON INDUSTRIAL CO., LTD. | 2021-04-15 | — | — | US | disclosed |
| US-10950806-B2 | Organic electroluminescent compound and organic electroluminescent device comprising the same | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2021-03-16 | — | — | US | disclosed |
| US-20160367876-A1 | GOLF CLUB HEAD WITH SOUND DAMPING | TAYLOR MADE GOLF COMPANY, INC. | 2016-12-22 | — | — | US | disclosed |
| US-9159497-B2 | Low band gap copolymer and method for manufacturing same | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2015-10-13 | — | — | US | disclosed |
| US-9040655-B2 | Direct CH arylation method using palladium-based catalyst | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2015-05-26 | — | — | US | disclosed |
| WO-2014047569-A9 | PRODUCT COMPRISING A NICOTINE-CONTAINING MATERIAL AND AN ANTI-CANCER AGENT | RIGAS BASIL (US) | 2014-05-30 | — | — | WO | disclosed |
| US-20140142263-A1 | DIRECT CH ARYLATION METHOD USING PALLADIUM-BASED CATALYST | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2014-05-22 | — | — | US | disclosed |
| US-20140135460-A1 | LOW BAND GAP COPOLYMER AND METHOD FOR MANUFACTURING SAME | GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2014-05-15 | — | — | US | disclosed |
| WO-2014047569-A2 | PRODUCT COMPRISING A NICOTINE-CONTAINING MATERIAL AND AN ANTI-CANCER AGENT | RIGAS BASIL (US) | 2014-03-27 | — | — | WO | disclosed |
| EP-2532352-A1 | Stabilized Sulforaphane | Pharmagra Labs, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2010034031-A1 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2010-03-25 | — | — | WO | disclosed |
| WO-2009026251-A1 | DETECTING IONS AND MEASURING ION CONCENTRATIONS | THE GENERAL HOSPITAL CORPORATION (US) | 2009-02-26 | — | — | WO | disclosed |