⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5427300 | 0.90 | — | — | |
| SCHEMBL17181655 | 0.87 | — | — | |
| Carbon Monoxide SCHEMBL5435314 | 0.80 | PTPN7 (0.40) | — | |
| SCHEMBL7928579 | 0.78 | — | — | |
| SCHEMBL5598443 | 0.77 | — | — | |
| SCHEMBL131293 | 0.73 | — | — | |
| SCHEMBL29120972 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL28962 | 0.71 | — | — | |
| SCHEMBL28814074 | 0.71 | — | — | |
| SCHEMBL55033 | 0.69 | TSHR (0.53) | — |
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-20160009703-A1 | BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF | LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) | 2016-01-14 | — | — | US | claimed |
| US-20150297586-A1 | USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES | Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) | 2015-10-22 | — | — | US | claimed |
| EP-0276288-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING A BISPHOSPHONATE AND THEIR USE FOR NASAL ADMINISTRATION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1988-08-03 | — | — | EP | claimed |
| WO-1988000829-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING A BISPHOSPHONATE AND THEIR USE FOR NASAL ADMINISTRATION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) | 1988-02-11 | — | — | WO | claimed |
| US-9415047-B2 | Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives | Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) | 2016-08-16 | — | — | US | disclosed |
| US-20150297586-A1 | USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES | Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) | 2015-10-22 | — | — | US | disclosed |
| EP-0563096-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992011267-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1992-07-09 | — | — | WO | disclosed |