⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2185274 | 0.78 | — | — | |
| SCHEMBL5228195 | 0.78 | — | — | |
| SCHEMBL2034662 | 0.75 | — | — | |
| SCHEMBL9572488 | 0.71 | — | — | |
| SCHEMBL10543260 | 0.68 | — | — | |
| SCHEMBL5124046 | 0.67 | — | — | |
| SCHEMBL169699 | 0.67 | — | — | |
| SCHEMBL2053024 | 0.66 | HTR3A (0.33) | — | |
| SCHEMBL87312 | 0.64 | CYP3A4 (0.32) | — | |
| SCHEMBL617265 | 0.64 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10914001-B2 | Volatile dihydropyrazinly and dihydropyrazine metal complexes | VERSUM MATERIALS US, LLC (US) | 2021-02-09 | — | — | US | disclosed |
| US-20190292659-A1 | Volatile dihydropyrazinly and dihydropyrazine metal complexes | VERSUM MATERIALS US, LLC (US) | 2019-09-26 | — | — | US | disclosed |
| US-20180327900-A1 | Volatile Dihydropyrazinly and Dihydropyrazine Metal Complexes | VERSUM MATERIALS US, LLC (US) | 2018-11-15 | — | — | US | disclosed |
| US-9994954-B2 | Volatile dihydropyrazinly and dihydropyrazine metal complexes | VERSUM MATERIALS US, LLC (US) | 2018-06-12 | — | — | US | disclosed |
| EP-2910665-B1 | Volatile dihydropyrazinyl and dihydropyrazine metal complexes | AIR PROD & CHEM (US) | 2016-12-14 | — | — | EP | disclosed |
| EP-2910665-A1 | Volatile dihydropyrazinyl and dihydropyrazine metal complexes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-08-26 | — | — | EP | disclosed |
| US-20150030782-A1 | Volatile dihydropyrazinly and dihydropyrazine metal complexes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-01-29 | — | — | US | disclosed |