⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9565769 | 0.70 | CYP2A6 (0.44) | — | |
| SCHEMBL28273009 | 0.68 | AHR (0.40) | — | |
| SCHEMBL8181096 | 0.68 | SIGMAR1 (0.38) | — | |
| SCHEMBL7866309 | 0.68 | SLC6A4 (0.47) | — | |
| SCHEMBL5760747 | 0.67 | HTR2A (0.33) | — | |
| SCHEMBL22272303 | 0.66 | IDO1 (0.41) | — | |
| SCHEMBL5756794 | 0.65 | GHSR (0.33) | — | |
| SCHEMBL29327032 | 0.65 | HTR2C (0.46) | — | |
| Oxalic Acid SCHEMBL7865026 | 0.64 | SIGMAR1 (0.44) | — | |
| SCHEMBL5336284 | 0.64 | CYP2A6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526951-A1 | 3-Phenyl benzo b thiophenes as pesticidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-10 | — | — | EP | disclosed |