⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9928450 | 0.89 | PRKDC (0.30) | — | |
| SCHEMBL9928446 | 0.89 | MAPT (0.30) | — | |
| SCHEMBL9928422 | 0.88 | MAPT (0.31) | — | |
| SCHEMBL9928402 | 0.84 | MAPT (0.31) | — | |
| SCHEMBL9928451 | 0.83 | BACE1 (0.33) | — | |
| SCHEMBL9900544 | 0.82 | — | — | |
| SCHEMBL9928449 | 0.81 | PDK2 (0.32) | — | |
| SCHEMBL9899115 | 0.81 | KDM4E (0.34) | — | |
| SCHEMBL16705200 | 0.81 | PDK2 (0.31) | — | |
| SCHEMBL9928447 | 0.79 | AKT1 (0.33) | — |
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-20120145973-A1 | Photochromic Materials That Include Indeno-Fused Naphthopyrans | TRANSITIONS OPTICAL INC. (US) | 2012-06-14 | — | — | US | disclosed |