⚠ 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 | |
|---|---|---|---|---|
| Gamma-Aminobutyric Acid SCHEMBL4878 | 0.97 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL190459 | 0.97 | LMNA (1.00) | — | |
| Gamma-Aminobutyric Acid SCHEMBL1330421 | 0.97 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL3973563 | 0.97 | LMNA (1.00) | — | |
| Gamma-Aminobutyric Acid SCHEMBL25327475 | 0.94 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL115987 | 0.94 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL587530 | 0.94 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL20593981 | 0.94 | LMNA (0.94) | — | |
| Gamma-Aminobutyric Acid SCHEMBL20593982 | 0.94 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL7779223 | 0.94 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115547430-A | Screening of blood brain barrier anxiolytic compounds by combining quantitative structure-activity relationship and molecular docking technology | 东北农业大学 | 2022-12-30 | — | — | CN | disclosed |
| CN-109430866-A | A kind of tranquilizing and allaying excitement improves health care's food formula and preparation method thereof of sleep quality | 吉林省恒实传食品科技发展有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-107048364-A | A kind of mulberry leaf powder rich in gamma aminobutyric acid and preparation method thereof | 华南农业大学 | 2017-08-18 | — | — | CN | disclosed |
| US-20080051357-A1 | COMPOSITION FOR ATTENUATING NEUROPATHIC PAIN COMPRISING A RECOMBINANT VENTOR EXPRESSING GAD65 | INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) | 2008-02-28 | — | — | US | disclosed |
| WO-2008010637-A1 | COMPOSITION FOR ATTENUATING NEUROPATHIC PAIN COMPRISING A RECOMBINANT VECTOR EXPRESSING GAD65 | INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) | 2008-01-24 | — | — | WO | disclosed |