⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17037205 | 0.98 | — | — | |
| SCHEMBL17037179 | 0.94 | — | — | |
| SCHEMBL17037177 | 0.90 | — | — | |
| SCHEMBL17037178 | 0.81 | DNM1 (0.32) | — | |
| SCHEMBL703782 | 0.75 | ADRB2 (0.33) | — | |
| SCHEMBL704178 | 0.75 | ADRB2 (0.33) | — | |
| SCHEMBL705655 | 0.73 | ADRB2 (0.35) | — | |
| SCHEMBL706654 | 0.69 | HSD17B10 (0.30) | — | |
| SCHEMBL704719 | 0.69 | HSD17B10 (0.30) | — | |
| SCHEMBL14261175 | 0.69 | OPRM1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9376385-B2 | Solid-phase supports and uses thereof | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2016-06-28 | — | — | US | disclosed |
| US-20150240006-A1 | Solid-Phase Supports and Uses Thereof | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION | 2015-08-27 | — | — | US | disclosed |