⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7823416 | 0.81 | — | — | |
| SCHEMBL8011799 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL8017443 | 0.76 | FGFR1 (0.31) | — | |
| SCHEMBL8011792 | 0.74 | GAA (0.36) | — | |
| SCHEMBL8012342 | 0.71 | ACHE (0.34) | — | |
| SCHEMBL8020015 | 0.68 | P2RX7 (0.33) | — | |
| SCHEMBL7835755 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL7819659 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL8711857 | 0.64 | CLCN2 (0.42) | — | |
| SCHEMBL8020021 | 0.63 | ALDH1A1 (0.53) | — |
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-5990108-A | USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR | RHONE POULENC RORER S.A. (FR) | 1999-11-23 | — | — | US | disclosed |