⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3203813 | 1.00 | — | — | |
| SCHEMBL11249862 | 0.68 | — | — | |
| SCHEMBL5531114 | 0.67 | — | — | |
| SCHEMBL2431350 | 0.67 | — | — | |
| SCHEMBL3203996 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7331630 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL6688698 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL3022800 | 0.59 | — | — | |
| SCHEMBL3019838 | 0.59 | ATM (0.30) | — | |
| SCHEMBL23509836 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644344-B1 | METHOD OF PREPARING CIS-8B-METHYLDECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CIS-DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENTA [FG]ACENAPHTHYLENE, CYCLENE AND FUNCTIONALISED CYCLENES | CENTRE NAT RECH SCIENT (FR) | 2011-09-14 | — | — | EP | disclosed |
| US-7659393-B2 | Method of preparing cis-8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene, cis-decahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylene, cyclene and functionalised cyclenes | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-02-09 | — | — | US | disclosed |
| US-20060217548-A1 | Method of preparing cis-8b-methyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cis-decahydro-2a,4a,6a,8a-tetraazacyclopenta[fg] acenaphthylene, cyclene and functionalised cyclenes | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) | 2006-09-28 | — | — | US | disclosed |