⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147343 | 1.00 | — | — | |
| SCHEMBL771996 | 0.93 | — | — | |
| SCHEMBL4420100 | 0.81 | — | — | |
| SCHEMBL12371218 | 0.79 | CYP1A2 (0.50) | — | |
| SCHEMBL9996729 | 0.78 | CYP1A2 (0.50) | — | |
| SCHEMBL294017 | 0.77 | — | — | |
| SCHEMBL8325168 | 0.77 | — | — | |
| SCHEMBL10206077 | 0.77 | — | — | |
| SCHEMBL23844550 | 0.75 | CYP1A2 (0.57) | — | |
| SCHEMBL1371466 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102803247-A | Novel fumarate salts of a histamine H3 receptor antagonist | SANOFI AVENTIS | 2012-11-28 | — | — | CN | claimed |
| WO-2011109675-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | claimed |
| CN-102803247-A | Novel fumarate salts of a histamine H3 receptor antagonist | SANOFI AVENTIS | 2012-11-28 | — | — | CN | disclosed |
| WO-2011109675-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | disclosed |