⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL929913 | 0.83 | LMNA (0.37) | — | |
| SCHEMBL31208706 | 0.83 | HTR6 (0.38) | — | |
| SCHEMBL26322407 | 0.82 | — | — | |
| SCHEMBL14410723 | 0.82 | — | — | |
| SCHEMBL12564432 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL14880059 | 0.81 | LMNA (0.36) | — | |
| Hydrochloric Acid SCHEMBL30900303 | 0.79 | LMNA (0.36) | — | |
| SCHEMBL2292002 | 0.79 | HTR6 (0.42) | — | |
| SCHEMBL31208679 | 0.76 | HTR6 (0.39) | — | |
| SCHEMBL31209248 | 0.74 | HTR6 (0.31) | — |
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-20110152238-A1 | PHARMACEUTICAL COMPOUNDS | NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) | 2011-06-23 | — | — | US | disclosed |
| US-4775668-A | Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof | PFIZER INC. (US) | 1988-10-04 | — | — | US | disclosed |