⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3531184 | 0.84 | MAPT (0.34) | — | |
| SCHEMBL12079646 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL2353120 | 0.77 | MAPT (0.33) | — | |
| Hydrochloric Acid SCHEMBL8979122 | 0.77 | KDM4E (0.39) | — | |
| SCHEMBL2849643 | 0.76 | PTPN1 (0.33) | — | |
| SCHEMBL9550958 | 0.75 | MAPT (0.33) | — | |
| SCHEMBL186371 | 0.75 | FFAR1 (0.33) | — | |
| SCHEMBL3519696 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL10575269 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL2849564 | 0.73 | ARG1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4054571-A | Nitrogen-containing polycyclic compounds and a process for the preparation thereof | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1977-10-18 | — | — | US | disclosed |