⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15428478 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9277699 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL25384535 | 0.97 | — | — | |
| SCHEMBL25660658 | 0.79 | GRM2 (0.53) | — | |
| Hydrochloric Acid SCHEMBL12479509 | 0.79 | GRM2 (0.41) | — | |
| SCHEMBL18483159 | 0.78 | — | — | |
| SCHEMBL22508331 | 0.78 | — | — | |
| SCHEMBL13158312 | 0.78 | — | — | |
| SCHEMBL13472248 | 0.77 | — | — | |
| SCHEMBL9665784 | 0.77 | SLC6A4 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107847765-B | 1, 4-substituted piperidine derivatives | 89生物有限公司 | 2021-05-04 | — | — | CN | disclosed |
| EP-3704127-A1 | NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) | AiCuris GmbH & Co. KG (DE) | 2020-09-09 | — | — | EP | disclosed |
| US-8796256-B2 | Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-08-05 | — | — | US | disclosed |
| US-20110294780-A1 | SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-01 | — | — | US | disclosed |
| CN-1656079-A | Pyrazole compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2005-08-17 | — | — | CN | disclosed |