⚠ 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 | |
|---|---|---|---|---|
| Citric Acid SCHEMBL7965990 | 0.79 | HTR1A (0.40) | — | |
| Citric Acid SCHEMBL7965989 | 0.77 | ESR1 (0.30) | — | |
| SCHEMBL7965779 | 0.71 | ITGA4 (0.33) | — | |
| SCHEMBL7963764 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL7967126 | 0.64 | ABCB1 (0.39) | — | |
| SCHEMBL7965345 | 0.63 | SLC6A1 (0.34) | — | |
| Bromide SCHEMBL7965944 | 0.63 | OPRM1 (0.36) | — | |
| SCHEMBL7962999 | 0.63 | OPRL1 (0.40) | — | |
| SCHEMBL7966082 | 0.60 | KDM4E (0.48) | — | |
| SCHEMBL7963269 | 0.60 | SLC6A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6242450-B1 | SUBSTITUTED PIPERIDINES | ELI LILLY AND COMPANY | 2001-06-05 | — | — | US | disclosed |
| EP-0976746-A1 | 5-HT1F antagonists | ELI LILLY AND COMPANY (US) | 2000-02-02 | — | — | EP | disclosed |