⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5274498 | 0.82 | — | — | |
| SCHEMBL3909589 | 0.82 | — | — | |
| SCHEMBL16423308 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL9995619 | 0.67 | — | — | |
| SCHEMBL28869759 | 0.67 | — | — | |
| SCHEMBL11554912 | 0.66 | — | — | |
| SCHEMBL817902 | 0.63 | — | — | |
| SCHEMBL28536180 | 0.63 | — | — | |
| SCHEMBL6281992 | 0.63 | — | — | |
| SCHEMBL17941529 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3836916-A1 | BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS | G1 Therapeutics, Inc. (US) | 2021-06-23 | — | — | EP | disclosed |
| US-20210171554-A1 | BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS | G1 THERAPEUTICS, INC. (US) | 2021-06-10 | — | — | US | disclosed |
| WO-2020037251-A1 | BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS | G1 THERAPEUTICS, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| EP-1694410-A2 | CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058884-A2 | CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2005-06-30 | — | — | WO | disclosed |