⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1793777 | 0.81 | PREP (0.44) | — | |
| SCHEMBL4763549 | 0.80 | CA1 (0.39) | — | |
| SCHEMBL5352724 | 0.75 | — | — | |
| SCHEMBL3894497 | 0.73 | CYP2A6 (0.42) | — | |
| SCHEMBL109480 | 0.73 | CA1 (0.58) | — | |
| SCHEMBL9714337 | 0.72 | ESR2 (0.39) | — | |
| SCHEMBL9115160 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL17881929 | 0.72 | ESR2 (0.39) | — | |
| Bromide SCHEMBL1271263 | 0.71 | CA1 (0.55) | — | |
| SCHEMBL667750 | 0.71 | CYP2A6 (0.40) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046461-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2010085747-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2010-07-29 | — | — | WO | disclosed |
| EP-0761669-B1 | Pentacyclic compounds, intermediates, processes, compositions, and methods | LILLY CO ELI (US) | 2000-11-22 | — | — | EP | disclosed |
| US-6133288-A | 2,8-DI(HYDROXY)-5-((2-PIPERIDIN-1-YL)ETHYOXY-1,4-PHENYLENE)-)-5H -BENZO-(E)NAPHTHO(1,2-C)PYRAN; POST-MENOPAUSAL SYNDROME, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS; UTERINE FIBROSIS, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION | ELI LILLY AND COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| US-6004971-A | ADMINISTERING TO POST-MENOPAUSAL WOMEN TO TREAT OSTEOPOROSIS AND LOWER CHOLESTEROL | ELI LILLY AND COMPANY (US) | 1999-12-21 | — | — | US | disclosed |
| US-5726186-A | FOR TREATING POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION | ELI LILLY AND COMPANY (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1997009044-A1 | PENTACYCLIC COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS | ELI LILLY AND COMPANY (US) | 1997-03-13 | — | — | WO | disclosed |
| EP-0761669-A2 | Pentacyclic compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |
| US-5182381-A | Intermediates for 3-keto-19-nor-Δ4,9 -steroids | ROUSSEL ULCAF (FR) | 1993-01-26 | — | — | US | disclosed |
| US-5064822-A | Antiglucocorticoid | ROUSSEL UCLAF (FR) | 1991-11-12 | — | — | US | disclosed |
| US-4540686-A | ANTIPROGESTERONES | ROUSSEL UCLAF (FR) | 1985-09-10 | — | — | US | disclosed |
| US-4477445-A | ANTIGLUCOCORTICOIDS | ROUSSEL UCLAF (FR) | 1984-10-16 | — | — | US | disclosed |