⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10638072 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL8635487 | 0.74 | — | — | |
| SCHEMBL8635486 | 0.74 | — | — | |
| SCHEMBL131609 | 0.74 | — | — | |
| SCHEMBL6352955 | 0.71 | — | — | |
| SCHEMBL743045 | 0.71 | APP (0.31) | — | |
| SCHEMBL9621334 | 0.71 | TAAR1 (0.38) | — | |
| SCHEMBL130932 | 0.71 | GABRP (0.34) | — | |
| SCHEMBL2066022 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL128641 | 0.69 | CYP2D6 (0.42) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | claimed |
| EP-1027336-B1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2004-10-06 | — | — | EP | claimed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | claimed |
| EP-1027336-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 2000-08-16 | — | — | EP | claimed |
| WO-1999021834-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 1999-05-06 | — | — | WO | claimed |
| US-6897219-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2005-05-24 | — | — | US | disclosed |
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | disclosed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | disclosed |
| EP-1027336-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021834-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 1999-05-06 | — | — | WO | disclosed |