⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL458183 | 0.91 | ALDH1A1 (0.38) | — | |
| SCHEMBL10866810 | 0.85 | HDAC3 (0.41) | — | |
| SCHEMBL8449538 | 0.84 | — | — | |
| SCHEMBL20822011 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL1349645 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL16853223 | 0.80 | ALDH1A1 (0.48) | — | |
| SCHEMBL16853220 | 0.80 | ALDH1A1 (0.55) | — | |
| SCHEMBL7135125 | 0.80 | — | — | |
| SCHEMBL5469546 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL7782041 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018081370-A1 | ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-03 | — | — | WO | disclosed |
| US-20160120996-A1 | COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES | APOSENSE LTD. (IL) | 2016-05-05 | — | — | US | disclosed |
| US-9138486-B2 | Cytotoxic peptides and antibody drug conjugates thereof | PFIZER INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-20140363452-A1 | CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF | PFIZER INC. | 2014-12-11 | — | — | US | disclosed |
| EP-2794009-A1 | BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER | Kancera AB (SE) | 2014-10-29 | — | — | EP | disclosed |
| EP-2616450-A2 | SULFONAMIDE COMPOUNDS | Kancera AB (SE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2013093095-A1 | BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER | KANCERA AB (SE) | 2013-06-27 | — | — | WO | disclosed |
| WO-2012035171-A2 | NEW COMPOUNDS | KANCERA AB (SE) | 2012-03-22 | — | — | WO | disclosed |
| EP-1880215-B1 | COMPOSITIONS AND METHODS FOR DETECTION OF SIROLIMUS | SIEMENS HEALTHCARE DIAGNOSTICS (US) | 2011-01-12 | — | — | EP | disclosed |