⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13934005 | 0.65 | MEN1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL6569380 | 0.65 | — | — | |
| SCHEMBL1641231 | 0.64 | — | — | |
| Bromide SCHEMBL2440901 | 0.63 | — | — | |
| SCHEMBL3308051 | 0.62 | — | — | |
| SCHEMBL14008412 | 0.62 | ALDH1A1 (0.55) | — | |
| Iodide SCHEMBL11446903 | 0.62 | — | — | |
| Bromide SCHEMBL9355667 | 0.60 | — | — | |
| SCHEMBL17817259 | 0.59 | KMT2A (0.57) | — | |
| Iodide SCHEMBL11445661 | 0.59 | SMN1; SMN2 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6686345-B2 | INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. | RESEARCH DEVELOPMENT FOUNDATION | 2004-02-03 | — | — | US | disclosed |
| US-20020132797-A1 | DNA-cleaving antitumor agents | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-09-19 | — | — | US | disclosed |
| US-6297284-B1 | AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. | RESEARCH DEVELOPMENT FOUNDATION | 2001-10-02 | — | — | US | disclosed |
| WO-2001070217-A1 | DNA-CLEAVING ANTITUMOR AGENTS | RESEARCH DEVELOPMENT FOUNDATION (US) | 2001-09-27 | — | — | WO | disclosed |