⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5347712 | 0.89 | — | — | |
| SCHEMBL4541447 | 0.84 | — | — | |
| SCHEMBL9009883 | 0.76 | — | — | |
| SCHEMBL622143 | 0.70 | — | — | |
| SCHEMBL11666938 | 0.69 | — | — | |
| SCHEMBL6187109 | 0.69 | — | — | |
| SCHEMBL7203121 | 0.69 | — | — | |
| SCHEMBL9028278 | 0.68 | — | — | |
| SCHEMBL1445180 | 0.67 | — | — | |
| SCHEMBL9670422 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3049691-A | — | — | None | — | — | JP | disclosed |
| US-20090247420-A1 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | NATIONAL SCIENCE FOUNDATION | 2009-10-01 | — | — | US | disclosed |
| WO-2007070761-A2 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-1999003838-A1 | 2-(1,2,3,4-TETRAHYDROXYBUTYL)PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | disclosed |
| JP-H0349691-A | PREPARATION OF OPTICALLY ACTIVE GAMMA-DITHIO-BETA-HYDROXYESTER | TAKASAGO INTERNATL CORP | 1991-03-04 | — | — | JP | disclosed |
| JP-H00349691-A | — | — | 0001-01-01 | — | — | JP | disclosed |