⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12951943 | 1.00 | — | — | |
| SCHEMBL12926919 | 1.00 | — | — | |
| SCHEMBL12951953 | 1.00 | — | — | |
| SCHEMBL14354641 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL12952320 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL12952164 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL12926916 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL12952090 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL12928523 | 0.92 | CHRNB2 (0.30) | — | |
| SCHEMBL12952318 | 0.92 | CHRNB2 (0.30) | — |
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-20070299154-A1 | Mold compositions with high adhesion to metal substrates | DESIGNER MOLECULES, INC. | 2007-12-27 | — | — | US | disclosed |
| US-7285613-B2 | Free-radical curable polyesters and methods for use thereof | DESIGNER MOLECULES, INC. (US) | 2007-10-23 | — | — | US | disclosed |