⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23964704 | 0.86 | — | — | |
| SCHEMBL6920724 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL12197813 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL2603301 | 0.75 | — | — | |
| SCHEMBL20746328 | 0.73 | — | — | |
| SCHEMBL23635321 | 0.71 | — | — | |
| SCHEMBL24448087 | 0.70 | — | — | |
| SCHEMBL18269029 | 0.70 | — | — | |
| SCHEMBL20676164 | 0.70 | — | — | |
| SCHEMBL23181682 | 0.69 | — | — |
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-10723719-B2 | Urea derivatives and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2020-07-28 | — | — | US | disclosed |
| US-20190284172-A1 | Urea Derivatives and Uses Thereof | KALA BIO, Inc. | 2019-09-19 | — | — | US | disclosed |
| US-20180037573-A1 | UREA DERIVATIVES AND USES THEREOF | KALA BIO, Inc. | 2018-02-08 | — | — | US | disclosed |