⚠ 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 | |
|---|---|---|---|---|
| L-697661 SCHEMBL30432096 | 0.83 | CD38 (0.31) | — | |
| L-697661 SCHEMBL29456987 | 0.76 | FABP4 (0.34) | — | |
| L-697661 SCHEMBL599639 | 0.76 | FABP4 (0.34) | — | |
| SCHEMBL9846215 | 0.75 | FABP4 (0.31) | — | |
| SCHEMBL9846072 | 0.71 | TYMS (0.32) | — | |
| SCHEMBL9455992 | 0.71 | HCAR2 (0.33) | — | |
| SCHEMBL9431504 | 0.71 | MEN1 (0.46) | — | |
| SCHEMBL9846309 | 0.70 | FABP4 (0.31) | — | |
| SCHEMBL9283257 | 0.69 | ADRA2A (0.32) | — | |
| SCHEMBL9171193 | 0.69 | FABP4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |