⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632847 | 1.00 | — | — | |
| SCHEMBL105953 | 1.00 | — | — | |
| Methoxymethane SCHEMBL28364081 | 0.93 | EPHX1 (0.47) | — | |
| SCHEMBL2715836 | 0.93 | — | — | |
| SCHEMBL22732629 | 0.93 | — | — | |
| Tetrahydrofuran SCHEMBL6549974 | 0.91 | EPHX1 (0.45) | — | |
| Water SCHEMBL2197126 | 0.91 | EPHX1 (0.48) | — | |
| SCHEMBL31055743 | 0.91 | EPHX1 (0.48) | — | |
| SCHEMBL8051310 | 0.91 | EPHX1 (0.48) | — | |
| Propane SCHEMBL28454658 | 0.87 | EPHX1 (0.48) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230002360-A1 | Heterocycloalkyl compounds as CCR2 / CCR5 antagonists | Wuxi Life Fountain Biotech Co., Ltd. (CN) | 2023-01-05 | — | — | US | disclosed |
| US-20220162197-A1 | MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS | Epizyme, Inc. | 2022-05-26 | — | — | US | disclosed |
| US-20220119383-A1 | QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS | GILEAD SCIENCES, INC. | 2022-04-21 | — | — | US | disclosed |
| US-10208068-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-02-19 | — | — | US | disclosed |
| US-20180148461-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-31 | — | — | US | disclosed |
| US-RE46630-E1 | Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHELHEIM INTERNATIONAL GMBH (DE) | 2017-12-12 | — | — | US | disclosed |
| EP-2794613-B1 | CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2017-03-29 | — | — | EP | disclosed |
| US-9102624-B2 | Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2015-08-11 | — | — | US | disclosed |
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-1577288-B1 | Selective estrogen receptor modulators | EISAI R&D MAN CO LTD (JP) | 2014-07-23 | — | — | EP | disclosed |
| US-20130045952-A1 | ABA Receptor Agonists for Increased Plant Stress Resistance | VAN ANDEL RESEARCH INSTITUTE (US) | 2013-02-21 | — | — | US | disclosed |
| US-20120277232-A1 | Pyridine and Pyrazine Derivative for the Treatment of CF | NOVARTIS AG | 2012-11-01 | — | — | US | disclosed |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| US-20100311694-A1 | Set of Geldanamycin Derivatives and Their Preparation Methods | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2010-12-09 | — | — | US | disclosed |
| US-20100240646-A1 | PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-09-23 | — | — | US | disclosed |
| US-7759343-B2 | Pyrrolo-triazine aniline compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-20 | — | — | US | disclosed |
| US-7615651-B2 | Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof | PFIZER INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-20090105243-A1 | Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-04-23 | — | — | US | disclosed |
| US-20080167371-A1 | Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof | PFIZER INC. | 2008-07-10 | — | — | US | disclosed |
| US-7388009-B2 | Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-17 | — | — | US | disclosed |