⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11800298 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18740686 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2544858 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL938893 | 0.71 | — | — | |
| SCHEMBL10622408 | 0.69 | — | — | |
| SCHEMBL6013620 | 0.69 | — | — | |
| SCHEMBL24885847 | 0.69 | — | — | |
| SCHEMBL22930952 | 0.69 | — | — | |
| SCHEMBL20334056 | 0.68 | — | — | |
| SCHEMBL22787146 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3400225-B1 | PENTANOIC ACIDS SUBSTITUTED BY PYRROLO-[2-3,B]PYRIMIDINE-PYRIDINES FOR THE TREATMENT OF INFLUENZA VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-11-10 | — | — | EP | disclosed |
| EP-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |
| US-9113631-B2 | 1,3-diaryl-substituted heterocyclic pesticides | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-08-25 | — | — | US | disclosed |
| US-20140249025-A1 | 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2014-09-04 | — | — | US | disclosed |
| WO-2014100730-A1 | PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF | Epizyme, Inc. (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2012080232-A1 | 2-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |