⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6970351 | 0.86 | CYP2A6 (0.38) | — | |
| SCHEMBL6959823 | 0.79 | CYP2A6 (0.35) | — | |
| SCHEMBL31359403 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL7809080 | 0.70 | MAPT (0.34) | — | |
| SCHEMBL9518291 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL6971378 | 0.67 | SIRT2 (0.35) | — | |
| SCHEMBL9518932 | 0.64 | RORC (0.31) | — | |
| SCHEMBL3502446 | 0.61 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL25549806 | 0.61 | CYP2A6 (0.55) | — | |
| SCHEMBL23704620 | 0.60 | HSP90AA1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0954521-B1 | 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO MCNEIL PHARM INC (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-0954521-A1 | 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | Ortho-McNeil Pharmaceutical, Inc. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1997035858-A1 | 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-10-02 | — | — | WO | disclosed |