Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of T-Butylacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| T-Butylacetic Acid SCHEMBL3159252 | 0.97 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL28123305 | 0.97 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL11218671 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL4319302 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL6500330 | 0.94 | — | — | |
| T-Butylacetic Acid SCHEMBL18258678 | 0.94 | CA4 (0.43) | — | |
| T-Butylacetic Acid SCHEMBL6098037 | 0.91 | CA4 (0.42) | — | |
| T-Butylacetic Acid SCHEMBL7859363 | 0.88 | CA4 (0.40) | — | |
| T-Butylacetic Acid SCHEMBL28494927 | 0.88 | CA4 (0.40) | — | |
| T-Butylacetic Acid SCHEMBL6567111 | 0.84 | CA4 (0.42) | — |
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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839128-B1 | PROCESS FOR THE PREPARATION OF ETHYL 3S-[[4-[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]-1,4-DIOXOBUTYL]AMINO]-4-PENTYNOATE | SEARLE & CO (US) | 2000-04-05 | — | — | EP | claimed |
| EP-0839128-A1 | PROCESS FOR THE PREPARATION OF ETHYL 3S-[[4-[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]-1,4-DIOXOBUTYL]AMINO]-4-PENTYNOATE | G.D. SEARLE & CO. (US) | 1998-05-06 | — | — | EP | claimed |
| US-5631399-A | MULTISTAGE SYNTHESIS USING TRIMETHYLSILYLACETYLENE WITH BUTYLLITHIUM AND FORMYLMORPHOLINE, THEN ACID HYDROLYSIS | G. D. SEARLE & CO. (US) | 1997-05-20 | — | — | US | claimed |
| WO-1997003947-A1 | PROCESS FOR THE PREPARATION OF ETHYL 3S-[[4-[[4-(AMINOIMINOMETHYL)PHENYL]AMINO]-1,4-DIOXOBUTYL]AMINO]-4-PENTYNOATE | G.D. SEARLE & CO. (US) | 1997-02-06 | — | — | WO | claimed |
| US-5536869-A | Process for the preparation of ethyl 3S-[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoate | G. D. SEARLE & CO. (US) | 1996-07-16 | — | — | US | claimed |
| US-5075448-A | Synthesis of swainsonine and analogs thereof | MONSANTO COMPANY (US) | 1991-12-24 | — | — | US | claimed |
| CN-112430197-B | Synthesis method of 3-oxo-5-hydroxy-6-cyano tert-butyl caproate | 江苏阿尔法药业股份有限公司 | 2023-05-05 | — | — | CN | disclosed |
| US-10807946-B2 | Antagonists of the glucagon receptor | METABASIS THERAPEUTICS, INC. (US) | 2020-10-20 | — | — | US | disclosed |
| US-20190218176-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | CITIBANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-18 | — | — | US | disclosed |
| US-10239829-B2 | Antagonists of the glucagon receptor | METABASIS THERAPEUTICS, INC. (US) | 2019-03-26 | — | — | US | disclosed |
| EP-2786985-B1 | Antagonists of the glucagon receptor | METABASIS THERAPEUTICS INC (US) | 2018-11-28 | — | — | EP | disclosed |
| US-20170275246-A1 | NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR | METABASIS THERAPEUTICS, INC. | 2017-09-28 | — | — | US | disclosed |
| US-9701626-B2 | Antagonists of the glucagon receptor | METABASIS THERAPEUTICS, INC. (US) | 2017-07-11 | — | — | US | disclosed |
| CN-1029404-C | Process for preparing alpha-adrenergic receptor antagonists | SMITHKLINE BECKMAN CORP (US) | 1995-08-02 | — | — | CN | disclosed |
| US-5075448-A | Synthesis of swainsonine and analogs thereof | MONSANTO COMPANY (US) | 1991-12-24 | — | — | US | disclosed |
| US-5075457-A | Synthesis of swainsonine and analogs thereof | MONSANTO COMPANY (US) | 1991-12-24 | — | — | US | disclosed |
| US-5023340-A | Pyrrolizioines and synthesis thereof | MONSANTO COMPANY (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0424349-A1 | Synthesis of 1,4-dideoxy-1,4-imino-D-mannitol | MONSANTO COMPANY (US) | 1991-04-24 | — | — | EP | disclosed |
| CN-1038100-A | The method for preparing Alpha-Adrenergic receptor antagonist | SMITHKLINE BECKMAN CORP (US) | 1989-12-20 | — | — | CN | disclosed |
| EP-0244364-A2 | Preparation of olefinic compounds | SANDOZ AG (CH) | 1987-11-04 | — | — | EP | disclosed |