⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6964872 | 0.73 | CCR1 (0.33) | — | |
| SCHEMBL7202836 | 0.73 | RIPK2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8692298 | 0.72 | CCR1 (0.32) | — | |
| SCHEMBL7207377 | 0.72 | ADRA2A (0.48) | — | |
| SCHEMBL8117244 | 0.71 | SLC40A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8111495 | 0.71 | CCR1 (0.31) | — | |
| SCHEMBL15339525 | 0.69 | PDPK1 (0.32) | — | |
| SCHEMBL7207384 | 0.69 | — | — | |
| SCHEMBL8111740 | 0.68 | CDK5 (0.33) | — | |
| SCHEMBL8581391 | 0.65 | HTT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998023612-A1 | 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | claimed |
| US-6610720-B2 | Administering to the patient an alpha-2 adrenoreceptor agonist for the treatment or prevention of emesis | MERCK FROSST CANADA & CO. (CA) | 2003-08-26 | — | — | US | disclosed |
| US-20020045565-A1 | Method for treating or preventing emesis | MERCK FROSST CANADA LTD. (CA) | 2002-04-18 | — | — | US | disclosed |
| WO-1998023612-A1 | 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | disclosed |