⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2935813 | 1.00 | — | — | |
| SCHEMBL2935816 | 1.00 | — | — | |
| SCHEMBL4121949 | 0.97 | MAPT (0.36) | — | |
| SCHEMBL14856128 | 0.97 | MAPT (0.36) | — | |
| SCHEMBL14915004 | 0.97 | MAPT (0.36) | — | |
| SCHEMBL14915002 | 0.97 | MAPT (0.36) | — | |
| SCHEMBL31484180 | 0.94 | — | — | |
| SCHEMBL14915022 | 0.94 | — | — | |
| SCHEMBL14856116 | 0.94 | — | — | |
| SCHEMBL14500222 | 0.92 | MAPT (0.36) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2024-01-18 | — | — | US | disclosed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |
| EP-4217353-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | Ermium Therapeutics (FR) | 2023-08-02 | — | — | EP | disclosed |
| WO-2022064075-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2022-03-31 | — | — | WO | disclosed |
| EP-3205648-A1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | Seragon Pharmaceuticals, Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| EP-3205648-A1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | Seragon Pharmaceuticals, Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| EP-2580210-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | SERAGON PHARMACEUTICALS INC (US) | 2017-03-01 | — | — | EP | disclosed |
| EP-2580210-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | SERAGON PHARMACEUTICALS INC (US) | 2017-03-01 | — | — | EP | disclosed |
| US-9078871-B2 | Estrogen receptor modulators and uses thereof | SERAGON PHARMACEUTICALS, INC. (US) | 2015-07-14 | — | — | US | disclosed |
| US-9078871-B2 | Estrogen receptor modulators and uses thereof | SERAGON PHARMACEUTICALS, INC. (US) | 2015-07-14 | — | — | US | disclosed |
| US-7615634-B2 | 4-aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-11-10 | — | — | US | disclosed |
| US-7157455-B2 | 4-Aminopyrimidine-5-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-01-02 | — | — | US | disclosed |
| EP-1507530-B1 | DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-11-02 | — | — | EP | disclosed |
| EP-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| US-6818663-B2 | AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS | HOFFMANN-LA ROCHES | 2004-11-16 | — | — | US | disclosed |
| US-20040006058-A1 | DIAMINOTHIAZOLES | CHU XIN-JIE (US) | 2004-01-08 | — | — | US | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |
| US-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |