⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8072009 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL8070195 | 0.72 | PDE2A (0.31) | — | |
| SCHEMBL8071874 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL8940911 | 0.63 | RAB9A (0.31) | — | |
| SCHEMBL8941181 | 0.63 | — | — | |
| SCHEMBL7845767 | 0.63 | GAA (0.33) | — | |
| SCHEMBL8307790 | 0.63 | — | — | |
| SCHEMBL21530467 | 0.62 | ABL1 (0.40) | — | |
| SCHEMBL30845487 | 0.62 | ABL1 (0.40) | — | |
| SCHEMBL8309840 | 0.62 | MTNR1A (0.32) | — |
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-6037312-A | HERBICIDES | IDEMITSU KOSAN CO., LTD. (JP) | 2000-03-14 | — | — | US | disclosed |