⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7084769 | 1.00 | — | — | |
| SCHEMBL7120034 | 0.94 | — | — | |
| SCHEMBL7120032 | 0.94 | — | — | |
| SCHEMBL6940319 | 0.90 | ESR1 (0.33) | — | |
| SCHEMBL7087556 | 0.90 | ESR1 (0.33) | — | |
| SCHEMBL7122203 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL5856061 | 0.82 | ESR1 (0.40) | — | |
| SCHEMBL5854915 | 0.82 | ESR1 (0.40) | — | |
| SCHEMBL5855930 | 0.79 | ESR1 (0.40) | — | |
| SCHEMBL7813218 | 0.78 | SIGMAR1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6555571-B2 | Hormone inhibitor; sexual disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-04-29 | — | — | US | disclosed |
| EP-1240156-A4 | 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2003-04-16 | — | — | EP | disclosed |
| US-20030013756-A1 | 3-methyl -chromane or thiochromane derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-01-16 | — | — | US | disclosed |
| EP-1240156-A1 | 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001042237-A1 | 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-06-14 | — | — | WO | disclosed |