⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20927594 | 0.85 | PNMT (0.31) | — | |
| SCHEMBL9045234 | 0.82 | — | — | |
| SCHEMBL17080879 | 0.80 | PNMT (0.32) | — | |
| SCHEMBL14096697 | 0.78 | — | — | |
| SCHEMBL260537 | 0.78 | — | — | |
| SCHEMBL416052 | 0.78 | — | — | |
| SCHEMBL14740877 | 0.78 | — | — | |
| SCHEMBL418167 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4624279 | 0.76 | CCR5 (0.38) | — | |
| SCHEMBL4871844 | 0.73 | CCR5 (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-4337341-A | 4a-Aryl-octahydro-1H-2-pyrindines | ELI LILLY AND COMPANY (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0002937-A1 | Novel pyrindines and their preparation, formulations and use | ELI LILLY AND COMPANY (US) | 1979-07-11 | — | — | EP | disclosed |