⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14747568 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL1500268 | 0.78 | — | — | |
| SCHEMBL28409344 | 0.75 | — | — | |
| SCHEMBL9432438 | 0.73 | — | — | |
| SCHEMBL16410049 | 0.73 | — | — | |
| SCHEMBL4895644 | 0.73 | — | — | |
| SCHEMBL27925422 | 0.73 | — | — | |
| SCHEMBL13668427 | 0.72 | TDP1 (0.44) | — | |
| SCHEMBL11486305 | 0.71 | — | — | |
| SCHEMBL10773112 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117321059-A | Tetracyclic compounds for the treatment of Zika virus infection | 吉利德科学公司 | 2023-12-29 | — | — | CN | disclosed |
| US-20180066007-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2018-03-08 | — | — | US | disclosed |
| EP-2983790-A2 | METHODS FOR TREATING CANCER | Boston Biomedical, Inc. (US) | 2016-02-17 | — | — | EP | disclosed |
| US-20150158901-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | BioVersys AG (CH) | 2015-06-11 | — | — | US | disclosed |
| WO-2014169078-A2 | METHODS FOR TREATING CANCER | BOSTON BIOMEDICAL, INC. (US) | 2014-10-16 | — | — | WO | disclosed |
| US-8841263-B2 | Macrocyclic compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20120252747-A1 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | SILICON VALLEY BANK | 2012-10-04 | — | — | US | disclosed |
| US-8202843-B2 | Macrocyclic compounds and methods of making and using the same | RIB-X PHARMACEUTICALS, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20110306668-A1 | CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID | NATIONAL TSING HUA UNIVERSITY (TW) | 2011-12-15 | — | — | US | disclosed |
| US-20080045585-A1 | Macrocyclic Compounds And Methods Of Making And Using The Same | BioVersys AG (CH) | 2008-02-21 | — | — | US | disclosed |
| EP-1723159-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Rib-X Pharmaceuticals, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005085266-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2005-09-15 | — | — | WO | disclosed |
| EP-0057562-A2 | Manufacture of halogenated ketones and aldehydes and the use of the same as reactants in the production of other products | CETUS CORPORATION (US) | 1982-08-11 | — | — | EP | disclosed |