⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13345012 | 0.96 | — | — | |
| SCHEMBL13344978 | 0.90 | — | — | |
| SCHEMBL13344968 | 0.87 | — | — | |
| SCHEMBL13344963 | 0.84 | — | — | |
| SCHEMBL13460619 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL3568374 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL3558765 | 0.78 | VCAM1 (0.41) | — | |
| SCHEMBL3563974 | 0.78 | CTSB (0.41) | — | |
| SCHEMBL13345004 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL3562579 | 0.75 | VCAM1 (0.45) | — |
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-7718688-B2 | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-18 | — | — | US | disclosed |
| US-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-05-22 | — | — | US | disclosed |