⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15220745 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL16572716 | 0.76 | — | — | |
| SCHEMBL9498089 | 0.76 | — | — | |
| SCHEMBL11457724 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL7323913 | 0.71 | ESR2 (0.33) | — | |
| SCHEMBL11770034 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL15521252 | 0.71 | NPC1 (0.34) | — | |
| SCHEMBL7793571 | 0.71 | — | — | |
| SCHEMBL14418070 | 0.70 | — | — | |
| SCHEMBL14418069 | 0.70 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7049448-B2 | Process for the preparation of monoketals of 1,4-cyclohexanedione including 1, 4-cyclohexanedione mono-2,2-dimethyl trimethylene ketal | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-05-23 | — | — | US | disclosed |
| US-20040230063-A1 | Process for the preparation of monoketals of 1,4-cyclohexanedione including 1, 4-cyclohexanedione mono-2,2-dimethyl trimethylene ketal | DR. REDDY'S LABORATORIES LIMITED | 2004-11-18 | — | — | US | disclosed |
| US-6610721-B2 | Imidazo heterocyclic compounds | NOVO NORDISK A/S (DK) | 2003-08-26 | — | — | US | disclosed |
| EP-1268483-A1 | CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS | NOVO NORDISK A/S (DK) | 2003-01-02 | — | — | EP | disclosed |
| US-20010049385-A1 | Imidazo heterocyclic compounds | HIGH POINT PHARMACEUTICALS, LLC | 2001-12-06 | — | — | US | disclosed |
| WO-2001068651-A1 | CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS | NOVO NORDISK A/S (DK) | 2001-09-20 | — | — | WO | disclosed |
| EP-0219257-B1 | Esters of dihydrolysergic acid | LILLY CO ELI (US) | 1994-03-09 | — | — | EP | disclosed |
| US-4939258-A | Cycloalkanol esters of dihydrolysergic acid | ELI LILLY AND COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| US-4906639-A | Cycloalkanol esters of dihydrolysergic acid | ELI LILLY AND COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| US-4845224-A | Cycloalkanol esters of dihydrolysergic acid having peripheral serotonin antagonist properties | ELI LILLY AND COMPANY (US) | 1989-07-04 | — | — | US | disclosed |
| US-4683236-A | ANTISEROTONIN AGENTS | ELI LILLY AND COMPANY (US) | 1987-07-28 | — | — | US | disclosed |
| EP-0219257-A2 | Esters of dihydrolysergic acid | ELI LILLY AND COMPANY (US) | 1987-04-22 | — | — | EP | disclosed |