⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1630931 | 0.81 | — | — | |
| SCHEMBL30448578 | 0.80 | AOC1 (0.57) | — | |
| SCHEMBL4754435 | 0.80 | AOC1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL28723819 | 0.79 | AOC1 (0.50) | — | |
| SCHEMBL11720835 | 0.79 | — | — | |
| SCHEMBL22903965 | 0.79 | — | — | |
| SCHEMBL18525733 | 0.79 | — | — | |
| SCHEMBL7019 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL838810 | 0.77 | AOC1 (0.44) | — | |
| SCHEMBL828153 | 0.76 | AOC1 (0.58) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503462-B | Synthesis method of tofacitinib intermediate (3R, 4R) -N, 4-dimethyl-1-benzyl-3-piperidylamine | 内蒙古京东药业有限公司 | 2022-03-25 | — | — | CN | claimed |
| CN-108610279-B | Novel method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine | 江苏苏利精细化工股份有限公司 | 2020-03-31 | — | — | CN | claimed |
| CN-109503462-A | Support method is for cloth intermediate (3R, 4R)-N, 4- dimethyl -1- benzyl -3- piperidinamine and its new synthetic method of oxalic acid salt hydrate | 内蒙古京东药业有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-108689915-A | A kind of synthetic method for the intermediate being used to prepare tropsch imatinib | 甘肃皓天医药科技有限责任公司 | 2018-10-23 | — | — | CN | claimed |
| CN-101495464-B | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2014-03-05 | — | — | CN | claimed |
| CN-103396398-A | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2013-11-20 | — | — | CN | claimed |
| CN-101495464-A | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-07-29 | — | — | CN | claimed |
| CN-101405002-A | Prokineticin 2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-08 | — | — | CN | claimed |
| CN-120077042-A | 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors | 卡尔维斯塔制药有限公司 | 2025-05-30 | — | — | CN | disclosed |
| CN-119775198-A | Cancer therapy targeting cancer stem cells | 治疗方案股份有限公司 | 2025-04-08 | — | — | CN | disclosed |
| CN-112312899-B | Cancer therapy targeting cancer stem cells | 治疗方案股份有限公司 | 2024-11-22 | — | — | CN | disclosed |
| EP-4257588-A1 | SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF | Reistone Biopharma Company Limited (CN) | 2023-10-11 | — | — | EP | disclosed |
| WO-2023171783-A1 | PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| CN-116635380-A | PPARgamma modulators and methods of use | 卫材R&D管理有限公司 | 2023-08-22 | — | — | CN | disclosed |
| US-8039028-B2 | Use of an extract of the orchid Vanda coerulea as a skin hydrating agent | LVMH REACHERCHE (FR) | 2011-10-18 | — | — | US | disclosed |
| US-20090253691-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-08 | — | — | US | disclosed |
| US-20090253691-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-08 | — | — | US | disclosed |
| CN-101495464-A | Prokineticin 1 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-07-29 | — | — | CN | disclosed |
| CN-101405002-A | Prokineticin 2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-08 | — | — | CN | disclosed |
| WO-2007118903-A1 | TRISUBSTITUTED 1,2,4-TRIAZOLES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-25 | — | — | WO | disclosed |