⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9444042 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL9444037 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL6026437 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL4263098 | 0.76 | — | — | |
| SCHEMBL1449843 | 0.66 | — | — | |
| SCHEMBL14719770 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL10337286 | 0.63 | ALDH1A1 (0.38) | — | |
| Nitric Acid SCHEMBL28738486 | 0.63 | CA5A (0.42) | — | |
| SCHEMBL9242372 | 0.61 | — | — | |
| SCHEMBL4558558 | 0.61 | ALOX15 (0.40) | — |
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-5243075-A | Process for producing N-chloromethyl nitramines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1993-09-07 | — | — | US | disclosed |