⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7848494 | 1.00 | — | — | |
| SCHEMBL11559892 | 0.98 | — | — | |
| SCHEMBL4041570 | 0.86 | KDM4E (0.41) | — | |
| SCHEMBL11556250 | 0.85 | — | — | |
| SCHEMBL7452709 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL3935930 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL1381531 | 0.80 | — | — | |
| SCHEMBL7549219 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL11556524 | 0.74 | KDM4E (0.39) | — | |
| SCHEMBL4637085 | 0.74 | ALDH1A1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0033255-B1 | OXIMES DERIVED FROM ERYTHROMYCIN A, THEIR PREPARATION, THEIR APPLICATION IN PHARMACEUTICALS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1984-08-29 | — | — | EP | claimed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| EP-1228059-A1 | NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM KG (DE) | 2002-08-07 | — | — | EP | disclosed |
| EP-1163239-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2001032648-A1 | NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-05-10 | — | — | WO | disclosed |
| WO-2000055154-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |
| US-4148895-A | HYPOTENSIVE, ANTIARRHYMIA AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-04-10 | — | — | US | disclosed |