⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL303163 | 0.80 | HMGCR (0.37) | — | |
| SCHEMBL31222826 | 0.76 | HMGCR (0.30) | — | |
| SCHEMBL590987 | 0.74 | HMGCR (0.36) | — | |
| SCHEMBL6560335 | 0.69 | — | — | |
| SCHEMBL2205890 | 0.69 | — | — | |
| SCHEMBL15237263 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL1667015 | 0.67 | — | — | |
| SCHEMBL5012132 | 0.67 | — | — | |
| SCHEMBL1667012 | 0.67 | — | — | |
| SCHEMBL7897953 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013148126-A1 | THREE-DIMENSIONAL PHOTORESISTS VIA FUNCTIONALIZATION OF POLYMER THIN FILMS FABRICATED BY ICVD | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-10-03 | — | — | WO | claimed |
| WO-2013040384-A1 | FREEZE, THAW AND RE-FREEZE INDICATORS BASED ON RAPID REACTIONS IN THE SOLID STATE | PATEL GORDHANBHAI N (US) | 2013-03-21 | — | — | WO | claimed |
| WO-2013040384-A1 | FREEZE, THAW AND RE-FREEZE INDICATORS BASED ON RAPID REACTIONS IN THE SOLID STATE | PATEL GORDHANBHAI N (US) | 2013-03-21 | — | — | WO | disclosed |
| US-6686428-B2 | TRANSMETALLATION REAGENTS REACTED WITH ALPHA-HALOCARBONYL COMPOUNDS IN THE PRESENCE OF A METAL CATALYST | THE PENN STATE RESEARCH FOUNDATION | 2004-02-03 | — | — | US | disclosed |