⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18938634 | 0.72 | — | — | |
| SCHEMBL17361177 | 0.61 | — | — | |
| SCHEMBL559037 | 0.53 | — | — | |
| SCHEMBL1401089 | 0.53 | — | — | |
| SCHEMBL597606 | 0.53 | — | — | |
| Calcium Bromide SCHEMBL30888723 | 0.33 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.33 | ALDH1A1 (0.50) | — | |
| SCHEMBL177416 | 0.28 | — | — | |
| Water SCHEMBL6737814 | 0.28 | — | — | |
| Water SCHEMBL7866582 | 0.28 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7351829-B2 | Compounds on the basis of 2- and 4-chromenylidene-merocyanines respectively, and their use | DYOMICS GMBH (DE) | 2008-04-01 | — | — | US | claimed |