⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5575310 | 1.00 | — | — | |
| SCHEMBL9811639 | 0.82 | LMNA (0.53) | — | |
| SCHEMBL17200647 | 0.82 | LMNA (0.53) | — | |
| SCHEMBL14937404 | 0.80 | LMNA (0.58) | — | |
| SCHEMBL23647592 | 0.80 | LMNA (0.58) | — | |
| SCHEMBL8768308 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL6373695 | 0.73 | — | — | |
| SCHEMBL10427686 | 0.71 | — | — | |
| SCHEMBL10427707 | 0.71 | — | — | |
| SCHEMBL667678 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6391305-B1 | CONJUGATE WHICH COMPRISES CYTOTOXIC AGENT ATTACHED AT C-TERMINUS TO OLIGOPEPTIDE COMPRISING AMINO ACID SEQUENCE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN, ALSO COMPRISING N-TERMINUS HYDROPHILIC BLOCKING GROUP | MERCK & CO., INC. | 2002-05-21 | — | — | US | disclosed |