⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7919845 | 1.00 | — | — | |
| SCHEMBL6777081 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18049977 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7503559 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6773521 | 0.97 | — | — | |
| Trifluoroacetic Acid SCHEMBL17822815 | 0.87 | LMNA (0.48) | — | |
| SCHEMBL27348021 | 0.80 | CYP2D6 (0.42) | — | |
| SCHEMBL25383152 | 0.79 | — | — | |
| SCHEMBL25383149 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL25381571 | 0.77 | — | — |
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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101525299-B | Method for synthesizing beta-amino acid | ASTATECH CHENGDU PHARMACEUTICAL CO LTD | 2013-11-20 | — | — | CN | claimed |
| 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 |
| CN-101525299-B | Method for synthesizing beta-amino acid | ASTATECH CHENGDU PHARMACEUTICAL CO LTD | 2013-11-20 | — | — | CN | disclosed |
| CN-101525299-A | Method for synthesizing beta-amino acid | ASTATECH CHENGDU PHARMACEUTICA | 2009-09-09 | — | — | CN | disclosed |
| EP-1047425-A4 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1427840-B1 | ENZYMATIC METHOD FOR THE ENANTIOMERIC RESOLUTION OF AMINO ACIDS | AVENTIS PHARMA SA (FR) | 2006-10-04 | — | — | EP | disclosed |
| EP-1044001-B1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2005-07-06 | — | — | EP | disclosed |
| EP-1040111-B1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1040098-B1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2005-04-27 | — | — | EP | disclosed |
| 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 | disclosed |
| WO-1995008536-A1 | N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-30 | — | — | WO | disclosed |
| EP-0614360-A1 | SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. | SEARLE & CO (US) | 1994-09-14 | — | — | EP | disclosed |
| US-5344957-A | Amidinoiphenyl-substituted | G.D. SEARLE & CO. (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0542708-A1 | Substituted B-amino acid derivatives useful as platelet aggregation inhibitors | MONSANTO COMPANY (US) | 1993-05-19 | — | — | EP | disclosed |
| WO-1993007867-A1 | SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-04-29 | — | — | WO | disclosed |
| US-4582529-A | PRE-AND POST- EMERGENCE HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY | 1986-04-15 | — | — | US | disclosed |