⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9883913 | 0.86 | AKR1B1 (0.46) | — | |
| Succinic Acid SCHEMBL27986359 | 0.84 | EGLN1 (0.50) | — | |
| SCHEMBL16579413 | 0.84 | AKR1B1 (0.50) | — | |
| SCHEMBL11522528 | 0.84 | LMNA (0.47) | — | |
| SCHEMBL9323454 | 0.83 | FFAR3 (0.48) | — | |
| SCHEMBL17255844 | 0.82 | GPR84 (0.52) | — | |
| SCHEMBL17038880 | 0.80 | — | — | |
| SCHEMBL9323099 | 0.79 | AKR1B1 (0.50) | — | |
| SCHEMBL11249999 | 0.78 | — | — | |
| SCHEMBL6292864 | 0.76 | GPR84 (0.56) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-8481284-B2 | Process of preparing conjugates of allium organosulfur compounds with amino acids, peptides, and proteins | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-20110082282-A1 | PROCESS OF PREPARING CONJUGATES OF ALLIUM ORGANOSULFUR COMPOUNDS WITH AMINO ACIDS, PEPTIDES, AND PROTEINS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2011-04-07 | — | — | US | disclosed |
| US-20080160230-A1 | INK JET RECORDING MEDIUM AND METHOD FOR MAKING THE SAME | FUJIFILM CORPORATION (JP) | 2008-07-03 | — | — | US | disclosed |
| US-20080160230-A1 | INK JET RECORDING MEDIUM AND METHOD FOR MAKING THE SAME | FUJIFILM CORPORATION (JP) | 2008-07-03 | — | — | US | disclosed |
| EP-0513030-B1 | NEW CIS-PLATINUM COMPLEXES WITH CHELATING AMINES AND SULPHINYL CARBOXYLATES | BOEHRINGER MANNHEIM ITALIA (IT) | 1994-01-26 | — | — | EP | disclosed |
| US-5275827-A | Cis-platinum complexes with chelating amines and sulphinyl carboxylates | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1994-01-04 | — | — | US | disclosed |
| US-4229573-A | BACTERICIDES | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1980-10-21 | — | — | US | disclosed |