⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL108080 | 0.84 | — | — | |
| Chloromethane SCHEMBL1814391 | 0.84 | — | — | |
| SCHEMBL102156 | 0.83 | — | — | |
| SCHEMBL5078402 | 0.80 | — | — | |
| Water SCHEMBL28057661 | 0.79 | — | — | |
| SCHEMBL27897205 | 0.79 | — | — | |
| SCHEMBL27528511 | 0.79 | — | — | |
| Methane SCHEMBL204080 | 0.79 | — | — | |
| SCHEMBL28559195 | 0.79 | — | — | |
| SCHEMBL27425167 | 0.79 | — | — |
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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303872-A1 | ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | claimed |
| EP-2181112-A1 | TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS | Merck Serono S.A. (CH) | 2010-05-05 | — | — | EP | claimed |
| WO-2009148403-A1 | ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS | ASTRAZENECA AB (SE) | 2009-12-10 | — | — | WO | claimed |
| WO-2009027283-A1 | TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS | MERCK SERONO S.A. (CH) | 2009-03-05 | — | — | WO | claimed |
| US-4144131-A | COUPLING, REACTION OF NUCLEOPHILIC AND ELECTROPHILIC GROUPS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1979-03-13 | — | — | US | claimed |
| US-11229637-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2022-01-25 | — | — | US | disclosed |
| US-20210060000-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | FIBROGEN, INC. | 2021-03-04 | — | — | US | disclosed |
| US-10646482-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20190240213-A1 | NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | FIBROGEN, INC. | 2019-08-08 | — | — | US | disclosed |
| WO-2019020810-A1 | CRYSTALLINE FORM OF (2S)-2-[[(Z)-[-1-(2-AMINO-4-THIAZOLYL)-2-[[(3S)-2,2-DIMETHYL-4-OXO-1-(SULFOOXY)-3-AZETIDINYL]AMINO]-2-OXOETHYLIDENE]AMINO]OXY]-3-[4-[IMINO[(3R)-3- PIPERIDINYLAMINO]METHYL]PHENOXY]-PROPANOIC ACID | AICURIS ANTI-INFECTIVE CURES GMBH (DE) | 2019-01-31 | — | — | WO | disclosed |
| US-10092558-B2 | Nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN, INC. (US) | 2018-10-09 | — | — | US | disclosed |
| WO-2017187245-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN | OPTIMUS DRUGS (P) LIMITED (IN) | 2017-11-02 | — | — | WO | disclosed |
| WO-2000040564-A1 | N-CARBOXYMETHYL SUBSTITUTED BENZOLACTAMS AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMACEUTICALS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| WO-2000040553-A1 | 3-SUBSTITUTED PYRROLIDINES USEFUL AS INHIBITORS OF MATRIX METALLO-PROTEINASES | AVENTIS PHARMACEUTICALS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| WO-2000009544-A1 | HEPTAPEPTIDE LHRH ANALOGS | ABBOTT LABORATORIES (US) | 2000-02-24 | — | — | WO | disclosed |
| WO-1998054208-A1 | CONFORMATIONALLY CONSTRAINED PEPTIDOMIMETICS AS β-TURN TEMPLATES AND MODULATORS OF SH3 DOMAINS | CADUS PHARMACEUTICAL CORPORATION (US) | 1998-12-03 | — | — | WO | disclosed |
| EP-0503044-A1 | PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF. | POLIFARMA SPA (IT) | 1992-09-16 | — | — | EP | disclosed |
| WO-1992006108-A1 | PEPTIDE COMPOUNDS OF LAEVOROTATORY AMINO ACIDS AND RING MOLECULES, AND THERAPEUTICAL APPLICATIONS THEREOF | POLIFARMA S.P.A. (IT) | 1992-04-16 | — | — | WO | disclosed |
| EP-0366193-A2 | Novel antimicrobial quinolonyl lactams | Norwich Eaton Pharmaceuticals, Inc. (US) | 1990-05-02 | — | — | EP | disclosed |
| EP-0364344-A2 | Novel peptidase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1990-04-18 | — | — | EP | disclosed |