⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7752788 | 0.86 | — | — | |
| SCHEMBL2044568 | 0.62 | — | — | |
| SCHEMBL2044566 | 0.60 | — | — | |
| SCHEMBL2043834 | 0.60 | — | — | |
| SCHEMBL2043867 | 0.59 | — | — | |
| SCHEMBL8677816 | 0.55 | — | — | |
| SCHEMBL4079948 | 0.55 | — | — | |
| SCHEMBL498154 | 0.55 | — | — | |
| SCHEMBL28664166 | 0.55 | MEN1 (0.33) | — | |
| SCHEMBL1518887 | 0.53 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002042282-A1 | METHOD FOR PRODUCING NITRO-DIHYDROISOXAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | claimed |
| US-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | claimed |
| US-12215099-B2 | Quinolinone and benzoxazine derivatives as muscarinic M1 and/or M4 receptor agonists | NXERA PHARMA UK LIMITED (GB) | 2025-02-04 | — | — | US | disclosed |
| EP-3891143-B1 | QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS | HEPTARES THERAPEUTICS LTD (GB) | 2024-01-31 | — | — | EP | disclosed |
| US-20220017504-A1 | QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS | NXERA PHARMA UK LIMITED (GB) | 2022-01-20 | — | — | US | disclosed |
| EP-3891143-A1 | QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS | Heptares Therapeutics Limited (GB) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020115506-A1 | QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-06-11 | — | — | WO | disclosed |
| EP-1893572-B1 | FACTOR XA INHIBITORS | MILLENNIUM PHARM INC (US) | 2016-12-14 | — | — | EP | disclosed |
| US-8377974-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20120178733-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2012-07-12 | — | — | US | disclosed |
| US-8153670-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-20060100193-A1 | 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-05-11 | — | — | US | disclosed |
| WO-2006002099-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | WO | disclosed |
| US-6541642-B1 | Reaction of crotonaldehyde with hydroxylamine, followed by a reaction of the produced oxime, while changing to nitrile oxide, with ethylene to form (E)-3-(1-propenyul)-2-iosxazoline | NIPPON SODA CO., LTD. (JP) | 2003-04-01 | — | — | US | disclosed |
| WO-2002042282-A1 | METHOD FOR PRODUCING NITRO-DIHYDROISOXAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002042282-A1 | METHOD FOR PRODUCING NITRO-DIHYDROISOXAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | disclosed |
| EP-1174429-A1 | PROCESS FOR THE PREPARATION OF (E)-3-(1-PROPENYL)ISOXAZOLINE | NIPPON SODA CO., LTD. (JP) | 2002-01-23 | — | — | EP | disclosed |
| WO-2001046163-A2 | 3-NITRO-DIHYDRO-ISOXAZOLES AND OXAZINES AND THEIR USE AS MICROBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-28 | — | — | WO | disclosed |
| US-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | disclosed |
| US-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | disclosed |