⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8813249 | 0.78 | — | — | |
| SCHEMBL15399539 | 0.78 | — | — | |
| SCHEMBL7759919 | 0.78 | — | — | |
| SCHEMBL7918141 | 0.78 | — | — | |
| SCHEMBL27472037 | 0.78 | — | — | |
| SCHEMBL23357784 | 0.78 | — | — | |
| SCHEMBL6689289 | 0.78 | — | — | |
| SCHEMBL27634625 | 0.77 | — | — | |
| SCHEMBL27545401 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL9711596 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018065607-A1 | CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2018-04-12 | — | — | WO | disclosed |
| EP-3305781-A1 | CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) | Deutsches Krebsforschungszentrum (DE) | 2018-04-11 | — | — | EP | disclosed |
| WO-2008152217-A2 | PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN | FINORGA (FR) | 2008-12-18 | — | — | WO | disclosed |