⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89291 | 1.00 | — | — | |
| SCHEMBL21097863 | 0.77 | — | — | |
| SCHEMBL13270436 | 0.73 | — | — | |
| SCHEMBL14210186 | 0.71 | — | — | |
| SCHEMBL4376483 | 0.71 | — | — | |
| SCHEMBL23866777 | 0.71 | — | — | |
| SCHEMBL1657424 | 0.71 | CHRM2 (0.30) | — | |
| SCHEMBL11817317 | 0.71 | — | — | |
| SCHEMBL22790561 | 0.69 | — | — | |
| SCHEMBL4419564 | 0.69 | PGR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3900742-B1 | TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES | SEAGEN INC (US) | 2024-05-15 | — | — | EP | disclosed |
| EP-2699584-B1 | CYCLIC PEPTIDE FROM NONOMURAEA SP., PROCESS FOR THE PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF MYCOBACTERIA RELATED DISEASE COMPRISING THE SAME | MYONGJI UNIV IND & ACAD COOP (KR) | 2016-04-13 | — | — | EP | disclosed |
| US-20120309938-A1 | HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER | EISAI CO., LTD. (JP) | 2012-12-06 | — | — | US | disclosed |