⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28527 | 0.74 | CA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9085192 | 0.72 | CA1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL28207127 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL5565770 | 0.72 | CA1 (0.30) | — | |
| Bromide SCHEMBL4662499 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL23227942 | 0.72 | CA1 (0.30) | — | |
| SCHEMBL4082883 | 0.70 | — | — | |
| SCHEMBL5224204 | 0.68 | — | — | |
| SCHEMBL3680405 | 0.67 | — | — | |
| Methylene Chloride SCHEMBL5612394 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133908-B2 | Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine | GLAXO GROUP LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |
| US-20100168131-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-07-01 | — | — | US | disclosed |