⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18756741 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL19504943 | 0.71 | — | — | |
| SCHEMBL27277321 | 0.69 | — | — | |
| SCHEMBL25812958 | 0.69 | CYP2D6 (0.33) | — | |
| SCHEMBL12026423 | 0.69 | CHRNA7 (0.32) | — | |
| SCHEMBL20368753 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20327299 | 0.66 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19011593 | 0.66 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL22404379 | 0.66 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL24448460 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10954244-B2 | Compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2021-03-23 | — | — | US | disclosed |
| US-20200157106-A1 | Novel Compounds and Uses Thereof | KALA BIO, Inc. | 2020-05-21 | — | — | US | disclosed |