⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6729067 | 0.97 | — | — | |
| SCHEMBL9816113 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL13745905 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL15283192 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL15283021 | 0.97 | EPHX1 (0.46) | — | |
| SCHEMBL15282804 | 0.97 | EPHX1 (0.46) | — | |
| Bromide SCHEMBL29006840 | 0.95 | EPHX1 (0.45) | — | |
| SCHEMBL4769334 | 0.91 | — | — | |
| SCHEMBL13745196 | 0.84 | LPAR2 (0.50) | — | |
| SCHEMBL8044051 | 0.79 | THRB (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080857-A | CONTACTING AN AMINE NUCLEOPHILE WITH AN A,B-UNSATURATED AMIDE DERIVATIVE SUCH AS ACYL UREA, OR CARBOXYLIC IMIDE IN THE PRESENCE OF A CHIRAL LEWIS ACID COMPLEX OF A CHIRAL BISOXAZOLINYLMETHANE WITH AN AZOPHILIC METACATION SALT | NORTH DAKOTA STATE UNIVERSITY (US) | 2000-06-27 | — | — | US | claimed |
| EP-1315733-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6472408-B1 | TWO 5- AMINO-5,6,7,8-TETRAHYDROQUINOLINE FRAGMENTS JOINED TOGETHER BY A DIVALENT LINKING GROUP; CHOLINESTERASE INHIBITORS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) | 2002-10-29 | — | — | US | disclosed |
| WO-2002020531-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |
| US-6191283-B1 | Pyrazole intermediates in a method of preparation of β-amino acids | NDSU-RESEARCH FOUNDATION | 2001-02-20 | — | — | US | disclosed |
| US-6080857-A | CONTACTING AN AMINE NUCLEOPHILE WITH AN A,B-UNSATURATED AMIDE DERIVATIVE SUCH AS ACYL UREA, OR CARBOXYLIC IMIDE IN THE PRESENCE OF A CHIRAL LEWIS ACID COMPLEX OF A CHIRAL BISOXAZOLINYLMETHANE WITH AN AZOPHILIC METACATION SALT | NORTH DAKOTA STATE UNIVERSITY (US) | 2000-06-27 | — | — | US | disclosed |