⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10343777 | 0.71 | — | — | |
| SCHEMBL28890375 | 0.64 | — | — | |
| SCHEMBL30852336 | 0.64 | — | — | |
| SCHEMBL6911489 | 0.61 | GRM5 (0.33) | — | |
| SCHEMBL1518887 | 0.60 | — | — | |
| SCHEMBL28113084 | 0.60 | — | — | |
| SCHEMBL4638251 | 0.60 | ADRA2A (0.30) | — | |
| SCHEMBL7229227 | 0.57 | HPGDS (0.33) | — | |
| SCHEMBL28723235 | 0.57 | HPGDS (0.33) | — | |
| SCHEMBL570014 | 0.57 | CHRNB4 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100410250-C | Novel spiroheterocyclic compoundsus reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMA (US) | 2008-08-13 | — | — | CN | claimed |
| US-20230175999-A1 | ARYLPHOSPHINE NANOMATERIAL CONSTRUCTS FOR MOISTURE-INSENSITIVE FORMALDEHYDE GAS SENSING | PALO ALTO RESEARCH CENTER INCORPORATED (US) | 2023-06-08 | — | — | US | disclosed |