⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL586279 | 0.91 | ABL1 (0.32) | — | |
| SCHEMBL11134137 | 0.83 | MEN1 (0.30) | — | |
| SCHEMBL11133242 | 0.83 | — | — | |
| SCHEMBL11130166 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL10973061 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL4451472 | 0.77 | LMNA (0.48) | — | |
| SCHEMBL8822206 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL7924295 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL11133300 | 0.74 | ABL1 (0.32) | — | |
| SCHEMBL8089069 | 0.72 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| JP-5017312-A | — | — | None | — | — | JP | disclosed |
| JP-H0517312-A | INSECTICIDAL, MOTH-PROOFING AND VERMIN-REPELLING AGENT CONTAINING CARBOXYLIC ACID ESTER DERIVATIVE AND VOLATILE AT NORMAL TEMPERATURE, AND INSECTICIDAL, MOTH-PROOFING AND VERMIN-REPELLING METHOD USING THE SAME | DAINIPPON JOCHUGIKU CO LTD | 1993-01-26 | — | — | JP | disclosed |