⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11811550 | 0.84 | ADRB2 (0.30) | — | |
| SCHEMBL11809102 | 0.83 | CSNK1E (0.36) | — | |
| SCHEMBL11813005 | 0.82 | MAP3K12 (0.32) | — | |
| SCHEMBL11818396 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL11814233 | 0.80 | XPO1 (0.30) | — | |
| SCHEMBL11819659 | 0.80 | — | — | |
| SCHEMBL11810702 | 0.78 | CTSS (0.33) | — | |
| SCHEMBL11811344 | 0.74 | DHFR (0.30) | — | |
| SCHEMBL11814904 | 0.73 | ABL1 (0.33) | — | |
| SCHEMBL11812544 | 0.73 | — | — |
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-3954438-A | 5-Trifluoromethyl-7-aminobenzimidazoles herbicides | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |