⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30212452 | 0.98 | — | — | |
| SCHEMBL84647 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7170102 | 0.95 | — | — | |
| Iodide SCHEMBL3384560 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5753035 | 0.95 | RAB9A (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL29142602 | 0.88 | CYP11B1 (0.45) | — | |
| Nitrous Acid SCHEMBL3384483 | 0.86 | TP53 (0.53) | — | |
| Phosphonic Acid SCHEMBL9074395 | 0.86 | RAB9A (0.49) | — | |
| Acetic Acid SCHEMBL28856321 | 0.86 | NPC1 (0.58) | — | |
| SCHEMBL28162065 | 0.84 | HSP90AA1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001007431-A2 | BENZOTHIOPHENE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2001-02-01 | — | — | WO | disclosed |