⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11883585 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL8627369 | 0.69 | — | — | |
| SCHEMBL9559720 | 0.69 | — | — | |
| SCHEMBL11447206 | 0.69 | — | — | |
| SCHEMBL278195 | 0.69 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8607332 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL7669076 | 0.67 | — | — | |
| SCHEMBL7199047 | 0.67 | — | — | |
| SCHEMBL9635993 | 0.67 | — | — | |
| SCHEMBL17421890 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5523411-A | Synthesis of mitomycin and its analogs | RUTGERS UNIVERSITY (US) | 1996-06-04 | — | — | US | claimed |
| US-5523411-A | Synthesis of mitomycin and its analogs | RUTGERS UNIVERSITY (US) | 1996-06-04 | — | — | US | disclosed |
| US-5523411-A | Synthesis of mitomycin and its analogs | RUTGERS UNIVERSITY (US) | 1996-06-04 | — | — | US | disclosed |