⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27460028 | 0.69 | — | — | |
| SCHEMBL5785170 | 0.67 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27501540 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27501539 | 0.67 | — | — | |
| SCHEMBL8818056 | 0.63 | — | — | |
| SCHEMBL27501538 | 0.63 | — | — | |
| SCHEMBL10895796 | 0.58 | — | — | |
| SCHEMBL56545 | 0.58 | — | — | |
| SCHEMBL170566 | 0.57 | — | — | |
| SCHEMBL823214 | 0.55 | — | — |
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 |