⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8871039 | 1.00 | — | — | |
| SCHEMBL9253152 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL9253156 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL8549149 | 0.72 | — | — | |
| SCHEMBL8549146 | 0.72 | — | — | |
| SCHEMBL6725377 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL8871398 | 0.70 | — | — | |
| SCHEMBL8871664 | 0.65 | KDM4E (0.34) | — | |
| SCHEMBL6725514 | 0.64 | — | — | |
| SCHEMBL8872548 | 0.64 | — | — |
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-5591868-A | HERBICIDE INTERMEDIATES | IDEMITSU KOSAN CO., LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| US-5506194-A | CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY | IDEMITSU KOSAN CO., LTD. (JP) | 1996-04-09 | — | — | US | disclosed |