⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3412783 | 0.79 | — | — | |
| SCHEMBL14964749 | 0.78 | TLR4 (0.33) | — | |
| SCHEMBL16503644 | 0.78 | GABRP (0.32) | — | |
| SCHEMBL6634675 | 0.72 | MAPK1 (0.38) | — | |
| SCHEMBL15656864 | 0.69 | — | — | |
| SCHEMBL4609819 | 0.68 | CTSK (0.34) | — | |
| SCHEMBL9617646 | 0.67 | — | — | |
| SCHEMBL5324376 | 0.67 | — | — | |
| SCHEMBL1668811 | 0.65 | — | — | |
| SCHEMBL17927943 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339934-A1 | PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS | RAQUALIA PHARMA INC. (JP) | 2023-10-26 | — | — | US | disclosed |
| US-20230255965-A1 | TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES | RAQUALIA PHARMA INC. (JP) | 2023-08-17 | — | — | US | disclosed |
| EP-1978804-A2 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007087231-A2 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |