⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340168 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL7058458 | 0.74 | — | — | |
| SCHEMBL2711143 | 0.72 | — | — | |
| SCHEMBL26730050 | 0.70 | — | — | |
| SCHEMBL12319697 | 0.69 | — | — | |
| SCHEMBL8768772 | 0.69 | — | — | |
| SCHEMBL3670632 | 0.69 | — | — | |
| SCHEMBL3871035 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL10527981 | 0.69 | — | — | |
| SCHEMBL18634754 | 0.69 | — | — |
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-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |