⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11131850 | 0.85 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7591554 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL9543842 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL296923 | 0.77 | — | — | |
| SCHEMBL11276513 | 0.77 | — | — | |
| SCHEMBL22183890 | 0.75 | — | — | |
| SCHEMBL29949706 | 0.75 | — | — | |
| SCHEMBL4302347 | 0.75 | — | — | |
| SCHEMBL7597485 | 0.74 | ABCB1 (0.33) | — | |
| SCHEMBL5689142 | 0.74 | SMN1; SMN2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-12404274-B2 | Macrocycles as factor xia inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-09-02 | — | — | US | disclosed |
| CN-107973809-B | Macrocyclic compounds as factor XIA inhibitors | 百时美施贵宝公司 | 2023-06-30 | — | — | CN | disclosed |
| US-20230058729-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2023-02-23 | — | — | US | disclosed |
| US-11136327-B2 | Macrocycles as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-10-05 | — | — | US | disclosed |
| EP-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| EP-3668503-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| EP-3668504-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| US-20200087312-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB (US) | 2020-03-19 | — | — | US | disclosed |
| WO-2019035914-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |
| US-8940720-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-27 | — | — | US | disclosed |
| WO-2013150416-A1 | DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS | PFIZER INC. (US) | 2013-10-10 | — | — | WO | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| US-20120041190-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-16 | — | — | US | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| EP-2231651-A1 | ISOXAZOLO-PYRIDAZINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009071477-A1 | ISOXAZOLO-PYRIDAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-11 | — | — | WO | disclosed |
| EP-1937664-A1 | HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME | Sumitomo Chemical Company, Limited (JP) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007043677-A9 | HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME | SUMITOMO CHEMICAL CO (JP) | 2007-06-07 | — | — | WO | disclosed |
| WO-2007043677-A1 | HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-04-19 | — | — | WO | disclosed |