⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23723700 | 0.74 | — | — | |
| SCHEMBL380185 | 0.70 | — | — | |
| SCHEMBL21947245 | 0.70 | — | — | |
| SCHEMBL21685286 | 0.70 | — | — | |
| SCHEMBL25167307 | 0.70 | — | — | |
| SCHEMBL17238980 | 0.70 | — | — | |
| SCHEMBL3293708 | 0.67 | — | — | |
| SCHEMBL5174158 | 0.67 | — | — | |
| SCHEMBL27392327 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL17503590 | 0.65 | KDM4E (0.53) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9526732-B2 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2016-12-27 | — | — | US | disclosed |
| CN-103958505-B | For treating dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated pathology | 高德美研究及发展公司 | 2016-08-24 | — | — | CN | disclosed |
| US-20150374708-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2015-12-31 | — | — | US | disclosed |
| EP-2771334-B1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RES & DEV (FR) | 2015-08-19 | — | — | EP | disclosed |
| US-9090596-B2 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2015-07-28 | — | — | US | disclosed |
| US-20140309208-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2014-10-16 | — | — | US | disclosed |
| EP-2771334-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | Galderma Research & Development (FR) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013061005-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2013-05-02 | — | — | WO | disclosed |