⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8896553 | 0.74 | GLA (0.37) | — | |
| SCHEMBL7595227 | 0.74 | HDAC8 (0.30) | — | |
| SCHEMBL252022 | 0.69 | GABRA1 (0.31) | — | |
| SCHEMBL12986433 | 0.67 | CYP1A2 (0.37) | — | |
| SCHEMBL3614755 | 0.66 | GRM5 (0.39) | — | |
| SCHEMBL8129656 | 0.66 | ACACB (0.39) | — | |
| SCHEMBL1478000 | 0.65 | LOX (0.35) | — | |
| SCHEMBL1306384 | 0.65 | GABRA1 (0.38) | — | |
| SCHEMBL677008 | 0.65 | LMNA (0.37) | — | |
| SCHEMBL1776424 | 0.65 | TRPA1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458967-B1 | REACTING ACETYLENE COMPOUNDS TO FORM ENOL ETHER; REACTING WITH SULFUR OR SELENIUM OR TELLURIUM COMPOUND TO FORM DYE PRODUCT | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2002-10-01 | — | — | US | disclosed |
| US-20020022723-A1 | Method for preparation of an intermediate dye product | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE STATE UNIVERSITY OF NEW YORK AT BUFFALO | 2002-02-21 | — | — | US | disclosed |
| WO-2002000642-A1 | METHOD FOR PREPARATION OF AN INTERMEDIATE DYE PRODUCT | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2002-01-03 | — | — | WO | disclosed |