⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111908 | 0.74 | — | — | |
| SCHEMBL2597642 | 0.71 | NUDT1 (0.35) | — | |
| SCHEMBL6514150 | 0.71 | — | — | |
| SCHEMBL28195033 | 0.71 | — | — | |
| SCHEMBL2269826 | 0.71 | — | — | |
| SCHEMBL8805899 | 0.71 | — | — | |
| SCHEMBL27898526 | 0.71 | — | — | |
| SCHEMBL16295298 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL27773474 | 0.69 | SCN9A (0.51) | — | |
| SCHEMBL7794820 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-12428421-B2 | Pyrimidinones as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-09-30 | — | — | US | disclosed |
| CN-116987080-A | Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-110845498-B | Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors | 百时美施贵宝公司 | 2023-02-17 | — | — | CN | disclosed |
| EP-3988549-A1 | MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-04-27 | — | — | EP | disclosed |
| US-11053247-B2 | Pyrimidinones as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-06 | — | — | US | disclosed |
| CN-110845498-A | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2020-02-28 | — | — | CN | disclosed |
| US-20200055854-A1 | PYRIMIDINONES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-02-20 | — | — | US | disclosed |
| CN-110446700-A | Compound | GLAXOSMITHKLINE IP DEV LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-110402247-A | Compound | GLAXOSMITHKLINE IP DEV LTD | 2019-11-01 | — | — | CN | disclosed |
| US-10336754-B2 | Pyrimidinones as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-07-02 | — | — | US | disclosed |
| CN-101039920-A | 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin d2 receptor antagonists | AVENTIS PHARMA INC (US) | 2007-09-19 | — | — | CN | disclosed |
| EP-0925285-B1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS | SYNGENTA LTD (GB) | 2001-10-17 | — | — | EP | disclosed |
| US-6162916-A | Process for the preparation of pyrimidine compounds | ZENECA LIMITED (GB) | 2000-12-19 | — | — | US | disclosed |
| US-6153750-A | DECHLORINATION WITH A CYANOPHENATE ANIONS WHICH ARE GENERATED IN SITU BY REACTING 2-CYANOPHENOL WITH AN ALKALI METAL CARBONATE, IN THE ABSENCE OF COPPER OR A COPPER SALT AND IN THE ABSENCE OF N,N-DIMETHYLFORMAMIDE; A PLANT FUNGICIDE | ZENECA LIMITED (GB) | 2000-11-28 | — | — | US | disclosed |
| EP-0937049-A1 | PROCESS FOR PREPARING (E)-METHYL 2- 2-(6-(2-CYANOPHENOXY)-PYRIMIDIN-4-YLOXY)PHENYL]-3-METHOXYPROPENOATE IN THE ABSENCE OF COPPER(SALT) AND OF N,N-DIMETHYLFORMAMIDE | ZENECA LIMITED (GB) | 1999-08-25 | — | — | EP | disclosed |
| EP-0925285-A1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS | ZENECA LIMITED (GB) | 1999-06-30 | — | — | EP | disclosed |
| WO-1998018767-A1 | PROCESS FOR PREPARING (E)-METHYL 2-[2-(6-(2-CYANOPHENOXY)-PYRIMIDIN-4-YLOXY)PHENYL]-3-METHOXYPROPENOATE IN THE ABSENCE OF COPPER(SALT) AND OF N,N-DIMETHYLFORMAMIDE | ZENECA LIMITED (GB) | 1998-05-07 | — | — | WO | disclosed |
| WO-1998007707-A1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE COMPOUNDS | ZENECA LIMITED (GB) | 1998-02-26 | — | — | WO | disclosed |
| US-5550239-A | REACTING TRIALKYLSILYL N-PENTYLPIPERAZINYLPYRIMIDINE DERIVATIVE WITH 4-AMINO-3-IODO-BENZENESULFONAMIDE COMPOUND IN PALLADIUM CATALYZED HETEROANNULATION STEP, REMOVING TRIALKYLSILYL GROUP WITH MINERAL ACID, BASIFYING | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| EP-0711769-A1 | Improved process for large-scale production of BMS 180048 and analogs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-15 | — | — | EP | disclosed |