⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11745847 | 0.63 | — | — | |
| SCHEMBL4266543 | 0.62 | — | — | |
| SCHEMBL1797594 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL10086842 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL11428211 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL1076823 | 0.60 | — | — | |
| SCHEMBL11209097 | 0.60 | NPSR1 (0.33) | — | |
| SCHEMBL8408768 | 0.60 | — | — | |
| SCHEMBL10991927 | 0.59 | NPSR1 (0.30) | — | |
| SCHEMBL3807551 | 0.59 | STAT3 (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-5000040-A | — | — | None | — | — | JP | disclosed |
| JP-H0540-A | INSECTICIDAL AND FUNGICIDAL PROCESS WITH ULTRASONIC PUMP | FUMAKILLA LTD | 1993-01-08 | — | — | JP | disclosed |