⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21955557 | 1.00 | — | — | |
| SCHEMBL9839632 | 0.68 | ALOX15 (0.31) | — | |
| SCHEMBL8101622 | 0.68 | — | — | |
| SCHEMBL1784979 | 0.67 | — | — | |
| SCHEMBL442745 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL7759316 | 0.64 | — | — | |
| SCHEMBL1786388 | 0.64 | CHRNB2 (0.37) | — | |
| SCHEMBL16180087 | 0.63 | — | — | |
| SCHEMBL9839487 | 0.63 | HIF1A (0.30) | — | |
| SCHEMBL26932430 | 0.63 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3606904-A1 | PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2020-02-12 | — | — | EP | disclosed |
| WO-2018187542-A1 | PREPARATION OF CYCLIC ALLYLIC NITRO COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2018-10-11 | — | — | WO | disclosed |