⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL443178 | 0.92 | MEN1 (0.31) | — | |
| SCHEMBL4858010 | 0.81 | — | — | |
| SCHEMBL30694 | 0.81 | MEN1 (0.36) | — | |
| SCHEMBL22919267 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL19480256 | 0.76 | — | — | |
| SCHEMBL12132583 | 0.74 | — | — | |
| SCHEMBL10265810 | 0.73 | — | — | |
| SCHEMBL11629970 | 0.72 | — | — | |
| SCHEMBL1470264 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL11738708 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019243825-A1 | SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS | CURADEV PHARMA LIMITED (GB) | 2019-12-26 | — | — | WO | disclosed |
| US-9745334-B2 | Cytotoxic-drug delivering molecules targeting HIV (CDM-Hs), cytotoxic activity against the human immunodeficiency virus and methods of use | YALE UNIVERSITY (US) | 2017-08-29 | — | — | US | disclosed |
| US-9556167-B2 | TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) | YALE UNIVERSITY (US) | 2017-01-31 | — | — | US | disclosed |
| US-9149968-B2 | Method for producing molded parts from a polyoxymethylene polymer | BASF SE (DE) | 2015-10-06 | — | — | US | disclosed |
| US-20150087609-A1 | CYTOTOXIC-DRUG DELIVERING MOLECULES TARGETING HIV (CDM-HS), CYTOTOXIC ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS AND METHODS OF USE | YALE UNIVERSITY | 2015-03-26 | — | — | US | disclosed |