⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5867297 | 0.86 | — | — | |
| SCHEMBL5867209 | 0.85 | — | — | |
| SCHEMBL9823068 | 0.83 | — | — | |
| SCHEMBL6430680 | 0.75 | — | — | |
| SCHEMBL15309927 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL14801547 | 0.70 | — | — | |
| SCHEMBL3554767 | 0.68 | — | — | |
| SCHEMBL702976 | 0.68 | — | — | |
| SCHEMBL3183846 | 0.67 | AKR1B1 (0.39) | — | |
| SCHEMBL1819651 | 0.66 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745641-B2 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20090054407-A1 | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-02-26 | — | — | US | disclosed |
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |
| US-7084133-B2 | Dicarba-closo-dodecaborane derivatives | KAGECHIKA HIROYUKI | 2006-08-01 | — | — | US | disclosed |
| US-20040102417-A1 | Dicarba-closo-dodecaborane derivatives | KAGECHIKA HIROYUKI (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1364954-A1 | DICARBA-CLOSO-DODECARBORANE DERIVATIVES | Kagechika, Hiroyuki (JP) | 2003-11-26 | — | — | EP | disclosed |
| US-5936105-A | 14-EPI-19-NOR-2-METHYLENE-1ALPHA,25-DIHYDROXYVITAMIN D3; DIFFERENTIATIVE THERAPY OF HYPERPROLIFERATIVE DISORDERS AND DISEASES. | TETRIONICS, INC. (US) | 1999-08-10 | — | — | US | disclosed |
| EP-0624573-B1 | Iodo vitamin D3 compounds and method for preparing same | WISCONSIN ALUMNI RES FOUND (US) | 1997-10-15 | — | — | EP | disclosed |
| US-5380720-A | Osteoporosis treatment | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1995-01-10 | — | — | US | disclosed |
| US-5371249-A | Osteoporosis | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1994-12-06 | — | — | US | disclosed |
| EP-0624573-A1 | Iodo vitamin D3 compounds and method for preparing same | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1994-11-17 | — | — | EP | disclosed |
| US-5145846-A | Skin disorders, leukemia, sebaceous gland disorders | HOFFMANN-LA ROCHE INC. (US) | 1992-09-08 | — | — | US | disclosed |
| US-5087619-A | For treatment of skin or gland disorders; antitumor agents | HOFFMAN-LA ROCHE INC. (US) | 1992-02-11 | — | — | US | disclosed |
| US-4772433-A | Vitamin D analogues | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) | 1988-09-20 | — | — | US | disclosed |
| EP-0078704-B1 | INTERMEDIATES IN THE SYNTHESIS OF VITAMIN D DERIVATIVES | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) | 1987-04-29 | — | — | EP | disclosed |
| EP-0078704-A1 | Intermediates in the synthesis of vitamin D derivatives | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) | 1983-05-11 | — | — | EP | disclosed |