⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7803973 | 0.83 | P2RX7 (0.32) | — | |
| SCHEMBL7803953 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL8489742 | 0.77 | P2RX7 (0.36) | — | |
| SCHEMBL948070 | 0.73 | P2RX7 (0.37) | — | |
| SCHEMBL10378077 | 0.70 | P2RX7 (0.37) | — | |
| SCHEMBL8006029 | 0.70 | P2RX7 (0.37) | — | |
| SCHEMBL15914554 | 0.68 | DHODH (0.33) | — | |
| SCHEMBL3849472 | 0.65 | CYP11B1 (0.31) | — | |
| SCHEMBL9164742 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL7809080 | 0.62 | MAPT (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889891-B1 | 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO MCNEIL PHARM INC (US) | 2001-06-06 | — | — | EP | disclosed |
| EP-0889891-A1 | 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO PHARMACEUTICAL CORPORATION (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997035857-A1 | 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-10-02 | — | — | WO | disclosed |
| US-5621113-A | ALPHA 2 ADRENOCEPTOR AGONISTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-04-15 | — | — | US | disclosed |