⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9120279 | 1.00 | — | — | |
| SCHEMBL9120148 | 1.00 | — | — | |
| 3-Pentanol SCHEMBL5341 | 0.76 | — | — | |
| SCHEMBL6735503 | 0.76 | — | — | |
| SCHEMBL9287188 | 0.73 | — | — | |
| 3-Pentanol SCHEMBL7547369 | 0.72 | — | — | |
| 3-Pentanol SCHEMBL27981940 | 0.72 | — | — | |
| 3-Pentanol SCHEMBL27893485 | 0.72 | — | — | |
| 3-Pentanol SCHEMBL3183384 | 0.72 | — | — | |
| 3-Pentanol SCHEMBL27988997 | 0.72 | — | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110015395-A1 | PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2011-01-20 | — | — | US | claimed |
| US-20100267718-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them | HIMMELSBACH FRANK | 2010-10-21 | — | — | US | claimed |
| US-20060264450-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them | HIMMELSBACH FRANK | 2006-11-23 | — | — | US | claimed |
| EP-1641767-A2 | BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME | Boehringer Ingelheim International GmbH (DE) | 2006-04-05 | — | — | EP | claimed |
| US-20050014772-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-01-20 | — | — | US | claimed |
| WO-2004108664-A2 | BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-12-16 | — | — | WO | claimed |
| US-20020103381-A1 | Method for the synthesis of pyrazolines | CHEMRX ADVANCED TECHNOLOGIES, INC. | 2002-08-01 | — | — | US | claimed |
| US-20020058788-A1 | Facile deprotection of Fmoc protected amino groups | DISCOVERY PARTNERS INTERNATIONAL, INC. | 2002-05-16 | — | — | US | claimed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| WO-2023083365-A1 | PAD4 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-05-19 | — | — | WO | disclosed |
| EP-1910454-B2 | TRIETHANOLAMINE PERCHLORATO (TRIFLATO) METAL INNER COMPLEX COORDINATION POLYMERS AS ADDITIVES FOR SYNTHETIC POLYMERS | CATENA ADDITIVES GMBH & CO KG (DE) | 2016-11-30 | — | — | EP | disclosed |
| US-8273880-B2 | Pyrazole compounds with inhibitory activity against ROS kinase | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2012-09-25 | — | — | US | disclosed |
| US-20110015395-A1 | PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2011-01-20 | — | — | US | disclosed |
| US-20100267718-A1 | Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them | HIMMELSBACH FRANK | 2010-10-21 | — | — | US | disclosed |
| US-5328505-A | Containing cation active emulsifier blend of alkyl phenol modified polyoxyethylene glycol and condensate of polyamines with lignin | WESTVACO CORPORATION (US) | 1994-07-12 | — | — | US | disclosed |
| US-5320671-A | Reaction product of polyamine with polycarboxylic acid and anhydride, endcapped polyethers and modified Kraft lignin | WESTVACO CORPORATION (US) | 1994-06-14 | — | — | US | disclosed |
| US-4957560-A | AMINOAMIDES | WESTVACO CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4810299-A | SEALS FOR PAVING | WESTVACO CORPORATION (US) | 1989-03-07 | — | — | US | disclosed |
| US-4401668-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1983-08-30 | — | — | US | disclosed |
| US-4388316-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1983-06-14 | — | — | US | disclosed |