⚠ 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 | |
|---|---|---|---|---|
| N-Methyl Pyrrolidine (Nmp) SCHEMBL2343346 | 0.96 | — | — | |
| SCHEMBL414741 | 0.92 | HRH3 (0.37) | — | |
| SCHEMBL20124473 | 0.92 | HRH3 (0.37) | — | |
| SCHEMBL12316976 | 0.92 | HRH3 (0.37) | — | |
| SCHEMBL18807723 | 0.92 | HRH3 (0.37) | — | |
| SCHEMBL3793955 | 0.92 | HRH3 (0.37) | — | |
| N-Methylpiperidine SCHEMBL6660565 | 0.92 | HRH3 (0.37) | — | |
| N-Methylpiperidine SCHEMBL1920 | 0.92 | — | — | |
| SCHEMBL21960469 | 0.92 | HRH3 (0.37) | — | |
| SCHEMBL12952612 | 0.92 | HRH3 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0905132-B1 | Benzothiophenes | LILLY CO ELI (US) | 2004-08-04 | — | — | EP | disclosed |
| US-6060488-A | ANTICARCINOGENIC AGENTS; POSTMENOPAUSAL CANCER OF BREASTS, UTERUS, CERVIX | ELI LILLY AND COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| WO-1999015521-A1 | BENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 1999-04-01 | — | — | WO | disclosed |
| EP-0905132-A1 | Benzothiophenes | ELI LILLY AND COMPANY (US) | 1999-03-31 | — | — | EP | disclosed |