⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12724949 | 0.79 | — | — | |
| SCHEMBL5681862 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL21735202 | 0.75 | — | — | |
| SCHEMBL2625536 | 0.73 | MEN1 (0.30) | — | |
| SCHEMBL24592636 | 0.73 | — | — | |
| SCHEMBL229715 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.71 | — | — | |
| SCHEMBL13104148 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL1066136 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL14308393 | 0.71 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536493-A | Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol | 海门瑞一医药科技有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-118530179-A | Elexacaftor intermediate and preparation method thereof | 河南豫辰药业股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-118530179-A | Elexacaftor intermediate and preparation method thereof | 河南豫辰药业股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-115536493-A | Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol | 海门瑞一医药科技有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115536493-A | Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol | 海门瑞一医药科技有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115536493-A | Simple method for preparing 3, 3-trifluoromethyl-2, 2-dimethylpropanol | 海门瑞一医药科技有限公司 | 2022-12-30 | — | — | CN | disclosed |
| US-10975037-B2 | Phenyl substituted pyrazoles as modulators of RORγt | JANSSEN PHARMACEUTICA NV (BE) | 2021-04-13 | — | — | US | disclosed |
| US-10975037-B2 | Phenyl substituted pyrazoles as modulators of RORγt | JANSSEN PHARMACEUTICA NV (BE) | 2021-04-13 | — | — | US | disclosed |
| CN-112566901-A | Phenyl-substituted pyrazoles as modulators of ROR γ t | 詹森药业有限公司 | 2021-03-26 | — | — | CN | disclosed |
| EP-3790865-A1 | PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT | Janssen Pharmaceutica NV (BE) | 2021-03-17 | — | — | EP | disclosed |
| US-8765784-B2 | Positive allosteric modulators of MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765784-B2 | Positive allosteric modulators of MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-8765784-B2 | Positive allosteric modulators of MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130210768-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME LLC | 2013-08-15 | — | — | US | disclosed |
| US-20130210768-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME LLC | 2013-08-15 | — | — | US | disclosed |
| US-20130210768-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME LLC | 2013-08-15 | — | — | US | disclosed |
| WO-2011034741-A1 | IMIDAZOPYRIDIN-2-ONE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2011-03-24 | — | — | WO | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090845-A1 | Haloalkyl-substituted pyrimidinone derivatives | NEUROGEN CORPORATION (US) | 2008-04-17 | — | — | US | disclosed |