⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10954725 | 0.89 | — | — | |
| SCHEMBL11220113 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL10956382 | 0.75 | CA12 (0.34) | — | |
| SCHEMBL10955209 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL10955089 | 0.72 | MGAM (0.33) | — | |
| SCHEMBL11351658 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL10953938 | 0.71 | CHRM2 (0.30) | — | |
| SCHEMBL11351711 | 0.71 | CA12 (0.31) | — | |
| SCHEMBL10953339 | 0.71 | CA12 (0.34) | — | |
| SCHEMBL11219122 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4496389-A | PREEMERGENCE, POSTEMERGENCE HERBICIDES | MONSANTO COMPANY (US) | 1985-01-29 | — | — | US | disclosed |
| US-4353731-A | PREEMERGENCE AND POSTEMERGENCE HERBICIDES | MONSANTO COMPANY (US) | 1982-10-12 | — | — | US | disclosed |