⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL29290799 | 0.84 | PPARA (0.37) | — | |
| SCHEMBL24773512 | 0.80 | — | — | |
| SCHEMBL20666381 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL28110007 | 0.72 | — | — | |
| SCHEMBL23847852 | 0.70 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL19617691 | 0.70 | KDM1A (0.38) | — | |
| SCHEMBL26864650 | 0.69 | CA12 (0.35) | — | |
| SCHEMBL27293186 | 0.69 | — | — | |
| SCHEMBL26219108 | 0.68 | CA12 (0.31) | — | |
| SCHEMBL4612230 | 0.66 | LMNA (0.40) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230285569-A1 | METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X | Design Therapeutics, Inc. | 2023-09-14 | — | — | US | disclosed |
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| CN-107312737-A | Recombinant escherichia coli, preparation method and method for synthesizing 3, 4-dihydroxybutyric acid | 北京理工大学 | 2017-11-03 | — | — | CN | disclosed |
| US-8895781-B2 | Transition metal-catalyzed C—H amination using unactivated amines | GEORGETOWN UNIVERSITY (US) | 2014-11-25 | — | — | US | disclosed |
| EP-2297148-B1 | NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS | SANOFI SA (FR) | 2012-01-04 | — | — | EP | disclosed |
| US-20110213146-A1 | Transition Metal-Catalyzed C-H Amination Using Unactivated Amines | GEORGETOWN UNIVERSITY (US) | 2011-09-01 | — | — | US | disclosed |
| CN-1768052-A | Substituted pyrazole compounds | MERCK PATENT GMBH (DE) | 2006-05-03 | — | — | CN | disclosed |
| CN-1160318-C | 2-cyano-3-substituted phenylacrylate compounds, compositions and their preparing prcess and application as disinfectant of agricultural crops | 江苏省农药研究所 | 2004-08-04 | — | — | CN | disclosed |
| CN-1317483-A | 2-cyano-3-substituted phenylacrylate compounds, compositions and their preparing prcess and application as disinfectant of agricultural crops | JIANGSU INST OF AGRICULTURAL C (CN) | 2001-10-17 | — | — | CN | disclosed |