⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16941638 | 0.71 | — | — | |
| SCHEMBL6266533 | 0.69 | — | — | |
| SCHEMBL3225996 | 0.69 | POLB (0.33) | — | |
| SCHEMBL2891197 | 0.67 | — | — | |
| SCHEMBL13259142 | 0.67 | — | — | |
| SCHEMBL14480010 | 0.65 | — | — | |
| SCHEMBL10094588 | 0.62 | — | — | |
| SCHEMBL12085967 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL13259177 | 0.62 | — | — | |
| SCHEMBL26156321 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020188142-A1 | 17-Side chain alkynyl-and 20-oxopregna-derivatives of vitamin D, methods for their production and pharmaceutical compositions thereof | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY | 2002-12-12 | — | — | US | disclosed |
| US-6372926-B2 | PREGNACALCIFEROL DERIVATIVES AND CORRESPONDING 5,6-TRANS ISOMERS EXHIBIT ANTI-PROGESTERONE ACTIVITY AND MAY BE USEFUL AS ANTINEOPLASTIC, ANTIFERTILITY, ANTIPROLIFERATIVE, IMMUNOSUPPRESSIVE OR ANTIINFLAMMATORY AGENTS | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY | 2002-04-16 | — | — | US | disclosed |
| US-20020010163-A1 | 17-SIDE CHAIN ALKYNL-AND 20-OXOPREGNA-DERIVATIVES OF VITAMIN D, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY | 2002-01-24 | — | — | US | disclosed |
| EP-0874815-B1 | 17-SIDE CHAIN ALKYNYL-AND 20-OXOPREGNA-DERIVATIVES OF VITAMIN D, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF | RES INST FOR (US) | 2001-04-18 | — | — | EP | disclosed |
| EP-0874815-A1 | 17-SIDE CHAIN ALKYNYL-AND 20-OXOPREGNA-DERIVATIVES OF VITAMIN D, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| EP-0863881-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997023453-A1 | 17-SIDE CHAIN ALKYNYL-AND 20-OXOPREGNA-DERIVATIVES OF VITAMIN D, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF | MARSDEN, JOHN, CHRISTOPHER (GB) | 1997-07-03 | — | — | WO | disclosed |
| WO-1997010219-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-03-20 | — | — | WO | disclosed |