⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1786535 | 1.00 | — | — | |
| SCHEMBL12841296 | 1.00 | — | — | |
| SCHEMBL5314601 | 0.91 | ALDH1A1 (0.43) | — | |
| SCHEMBL1783504 | 0.89 | TRPA1 (0.42) | — | |
| SCHEMBL1783502 | 0.89 | TRPA1 (0.42) | — | |
| SCHEMBL1784397 | 0.81 | TRPA1 (0.44) | — | |
| SCHEMBL18957742 | 0.81 | TRPA1 (0.56) | — | |
| SCHEMBL18941550 | 0.81 | TRPA1 (0.56) | — | |
| SCHEMBL1784399 | 0.81 | TRPA1 (0.44) | — | |
| SCHEMBL1783910 | 0.79 | GAPDH (0.41) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3793971-B1 | OPTIMIZATION OF 2-EH PRODUCT RECOVERY SYSTEM USING PROCESS INTENSIFICATION | SABIC GLOBAL TECHNOLOGIES BV (NL) | 2021-09-08 | — | — | EP | claimed |
| CN-113004595-A | Method for modifying road petroleum asphalt | 新疆佳宇恒能源科技有限公司 | 2021-06-22 | — | — | CN | claimed |
| EP-3802474-A1 | REDUCING OXIDIZED OXO ALCOHOLS FOR QUALITY IMPROVEMENT | SABIC Global Technologies B.V. (NL) | 2021-04-14 | — | — | EP | claimed |
| EP-4444687-A1 | AN INTEGRATED PROCESS FOR PRODUCING OXO ALCOHOLS FROM NATURAL GAS | PETROSAKHT CHEHELSOTON ENGINEERING TECHNICAL COMPANY (IR) | 2024-10-16 | — | — | EP | disclosed |
| WO-2023161884-A1 | AN INTEGRATED PROCESS FOR PRODUCING OXO ALCOHOLS FROM NATURAL GAS | PETROSAKHT CHEHELSOTON ENGINEERING TECHNICAL COMPANY (IR) | 2023-08-31 | — | — | WO | disclosed |
| CN-113058517-B | Micro-interface preparation device and method for butanol and octanol | 南京延长反应技术研究院有限公司 | 2023-05-05 | — | — | CN | disclosed |
| WO-2023002186-A1 | COPPER-CONTAINING HYDROGENATION CATALYSTS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 2023-01-26 | — | — | WO | disclosed |
| WO-2023284024-A1 | MICRO-INTERFACE STRENGTHENING SYSTEM FOR PREPARING OCTENAL BY N-BUTYRALDEHYDE CONDENSATION, AND PREPARATION METHOD | 南京延长反应技术研究院有限公司 | 2023-01-19 | — | — | WO | disclosed |
| WO-2022198873-A1 | OCTANOL PRODUCTION SYSTEM AND METHOD | 南京延长反应技术研究院有限公司 | 2022-09-29 | — | — | WO | disclosed |
| CN-113004595-A | Method for modifying road petroleum asphalt | 新疆佳宇恒能源科技有限公司 | 2021-06-22 | — | — | CN | disclosed |
| EP-3802474-A1 | REDUCING OXIDIZED OXO ALCOHOLS FOR QUALITY IMPROVEMENT | SABIC Global Technologies B.V. (NL) | 2021-04-14 | — | — | EP | disclosed |
| CN-105189426-B | Integrated process for the simultaneous production of oxo-alcohols and plasticizers | 沙特基础工业公司 | 2020-09-18 | — | — | CN | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| CN-102030626-B | Method for preparing 5-methyl-2-hepten-4-one | SHANGHAI INST TECHNOLOGY | 2013-02-20 | — | — | CN | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| CN-102030626-A | Method for preparing 5-methyl-2-hepten-4-one | SHANGHAI INST TECHNOLOGY | 2011-04-27 | — | — | CN | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |