⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1478390 | 1.00 | — | — | |
| SCHEMBL216033 | 1.00 | — | — | |
| SCHEMBL1478393 | 1.00 | — | — | |
| SCHEMBL216036 | 1.00 | — | — | |
| SCHEMBL15540651 | 0.78 | — | — | |
| SCHEMBL27954151 | 0.75 | — | — | |
| SCHEMBL6281992 | 0.74 | — | — | |
| SCHEMBL7117015 | 0.72 | — | — | |
| SCHEMBL5274498 | 0.71 | — | — | |
| SCHEMBL3909589 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7282590-B2 | Selectively target tumor cells with highly potent cytotoxic drugs at a drug release rate that is effective for the destruction and/or inhibition of tumor cells | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2007-10-16 | — | — | US | disclosed |
| US-20050232928-A1 | Drug conjugates | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-10-20 | — | — | US | disclosed |