⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11634765 | 0.71 | — | — | |
| SCHEMBL486686 | 0.69 | LMNA (0.39) | — | |
| SCHEMBL2707573 | 0.67 | — | — | |
| SCHEMBL11633876 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL2468862 | 0.64 | — | — | |
| SCHEMBL163866 | 0.62 | — | — | |
| SCHEMBL896562 | 0.62 | — | — | |
| SCHEMBL449359 | 0.62 | — | — | |
| SCHEMBL4917661 | 0.62 | — | — | |
| SCHEMBL8113163 | 0.62 | — | — |
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-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |