⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685972 | 0.84 | — | — | |
| SCHEMBL9244758 | 0.84 | ACE (0.31) | — | |
| SCHEMBL193854 | 0.84 | ACE (0.31) | — | |
| SCHEMBL7531894 | 0.81 | MME (0.31) | — | |
| SCHEMBL1614931 | 0.80 | AKR1C4 (0.33) | — | |
| SCHEMBL114053 | 0.76 | AKR1C4 (0.41) | — | |
| Bromide SCHEMBL3200051 | 0.75 | AKR1C4 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL15571353 | 0.75 | AKR1C4 (0.40) | — | |
| SCHEMBL16797162 | 0.74 | THRB (0.33) | — | |
| SCHEMBL5809888 | 0.74 | THRB (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200164074-A1 | JASMONATE DERIVATIVES AND COMPOSITIONS THEREOF | NANOCARE TECHNOLOGIES, INC. (US) | 2020-05-28 | — | — | US | disclosed |
| US-10314918-B2 | Jasmonate derivatives and compositions thereof | NANOCARE TECHNOLOGIES, INC. (US) | 2019-06-11 | — | — | US | disclosed |
| US-20170368186-A1 | JASMONATE DERIVATIVES AND COMPOSITIONS THEREOF | NANOCARE TECHNOLOGIES, INC. | 2017-12-28 | — | — | US | disclosed |