⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22590342 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3633714 | 0.98 | THRB (0.35) | — | |
| SCHEMBL20018526 | 0.84 | — | — | |
| SCHEMBL9524 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL28412850 | 0.82 | — | — | |
| Methane SCHEMBL10699216 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16570059 | 0.82 | — | — | |
| SCHEMBL9542986 | 0.76 | — | — | |
| SCHEMBL22141994 | 0.74 | — | — | |
| SCHEMBL22142219 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024175450-A1 | SUBSTITUTED S-ALANINATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2024-08-29 | — | — | WO | disclosed |
| US-10954236-B2 | Tyrosine amide derivatives as Rho-Kinase inhibitors | CHIESI FARMACEUTICI S.P.A. (IT) | 2021-03-23 | — | — | US | disclosed |
| US-20200079774-A1 | TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2020-03-12 | — | — | US | disclosed |
| US-20200062767-A1 | SUBSTITUTED PYRROLIDINYL AND PIPERIDINYL PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-02-27 | — | — | US | disclosed |
| US-20180215758-A1 | TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-08-02 | — | — | US | disclosed |
| EP-2978752-A1 | 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014160810-A1 | 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-10-02 | — | — | WO | disclosed |
| EP-2603216-A1 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012021615-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |