⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8613948 | 0.92 | — | — | |
| SCHEMBL9089224 | 0.85 | — | — | |
| SCHEMBL8615407 | 0.83 | PDE4B (0.31) | — | |
| SCHEMBL8619577 | 0.77 | — | — | |
| SCHEMBL7109929 | 0.76 | CYP11B2 (0.30) | — | |
| SCHEMBL8617437 | 0.76 | — | — | |
| SCHEMBL8613409 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL9091071 | 0.75 | — | — | |
| SCHEMBL8613649 | 0.73 | — | — | |
| SCHEMBL9250918 | 0.72 | — | — |
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-5756759-A | HERBICIDES | IDEMITSU KOSAN CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5506194-A | CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY | IDEMITSU KOSAN CO., LTD. (JP) | 1996-04-09 | — | — | US | disclosed |