⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7697224 | 0.80 | — | — | |
| SCHEMBL13880149 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL16203243 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL12656855 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL19565414 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL891998 | 0.69 | — | — | |
| SCHEMBL12231853 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL11666618 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL27614010 | 0.69 | CYP3A4 (0.41) | — | |
| SCHEMBL23694376 | 0.68 | ALDH1A1 (0.41) | — |
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-20110183867-A1 | Polymer arrays for biofilm adhesion testing | UNIVERSITY OF NOTTINGHAM (GB) | 2011-07-28 | — | — | US | disclosed |