⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123635 | 0.74 | HPGD (0.42) | — | |
| SCHEMBL124495 | 0.72 | F2 (0.44) | — | |
| SCHEMBL125574 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL14281323 | 0.65 | TRAP1 (0.36) | — | |
| SCHEMBL14281325 | 0.65 | MEN1 (0.36) | — | |
| SCHEMBL1936533 | 0.63 | CHRM2 (0.34) | — | |
| SCHEMBL124499 | 0.62 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10194733 | 0.62 | TRAP1 (0.41) | — | |
| SCHEMBL22728434 | 0.62 | — | — | |
| SCHEMBL10159094 | 0.61 | MAPT (0.39) | — |
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-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |