⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20992588 | 0.78 | — | — | |
| SCHEMBL25762009 | 0.71 | — | — | |
| SCHEMBL20820861 | 0.69 | — | — | |
| SCHEMBL25802278 | 0.67 | — | — | |
| SCHEMBL24729091 | 0.65 | — | — | |
| SCHEMBL14301019 | 0.65 | — | — | |
| SCHEMBL13534063 | 0.64 | — | — | |
| SCHEMBL27448906 | 0.63 | — | — | |
| SCHEMBL25111881 | 0.63 | — | — | |
| SCHEMBL19261478 | 0.63 | TSHR (0.31) | — |
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 4 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 |
| WO-2020133403-A1 | SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF | 青岛清原化合物有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-20200157106-A1 | Novel Compounds and Uses Thereof | KALA BIO, Inc. | 2020-05-21 | — | — | US | disclosed |
| US-20180037573-A1 | UREA DERIVATIVES AND USES THEREOF | KALA BIO, Inc. | 2018-02-08 | — | — | US | disclosed |