⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27143998 | 0.81 | TLR4 (0.33) | — | |
| SCHEMBL3333828 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1904169 | 0.78 | GABRP (0.30) | — | |
| SCHEMBL8874485 | 0.60 | GABRP (0.33) | — | |
| SCHEMBL6788944 | 0.60 | — | — | |
| SCHEMBL3059047 | 0.59 | — | — | |
| SCHEMBL24798 | 0.59 | GABRA1 (0.31) | — | |
| SCHEMBL27796211 | 0.59 | — | — | |
| SCHEMBL1324159 | 0.58 | — | — | |
| SCHEMBL4987452 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1838676-A1 | NEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006072039-A1 | NEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-07-06 | — | — | WO | disclosed |