⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20719955 | 0.79 | GMNN (0.32) | — | |
| SCHEMBL13084367 | 0.69 | GMNN (0.38) | — | |
| SCHEMBL13084327 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL20719963 | 0.66 | GMNN (0.35) | — | |
| SCHEMBL2761698 | 0.65 | KMT2A (0.37) | — | |
| SCHEMBL2762099 | 0.62 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL5523439 | 0.62 | CA12 (0.47) | — | |
| SCHEMBL4437671 | 0.62 | MAPT (0.43) | — | |
| SCHEMBL6129317 | 0.60 | LMNA (0.48) | — | |
| SCHEMBL15055497 | 0.60 | SMN1; SMN2 (0.53) | — |
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-11091646-B2 | Luminescent squaraine rotaxane compounds | SETA BIOMEDICALS, LLC (US) | 2021-08-17 | — | — | US | disclosed |
| US-20200199369-A9 | LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS | SETA BIOMEDICALS, LLC | 2020-06-25 | — | — | US | disclosed |
| US-20190048196-A1 | LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS | SETA BIOMEDICALS LLC (US) | 2019-02-14 | — | — | US | disclosed |