⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14017805 | 0.78 | — | — | |
| SCHEMBL18595407 | 0.75 | — | — | |
| SCHEMBL18697171 | 0.75 | — | — | |
| SCHEMBL19450791 | 0.74 | — | — | |
| SCHEMBL19474505 | 0.74 | — | — | |
| SCHEMBL18710694 | 0.74 | — | — | |
| SCHEMBL19413759 | 0.72 | — | — | |
| SCHEMBL23252577 | 0.72 | — | — | |
| SCHEMBL18252761 | 0.71 | — | — | |
| SCHEMBL16368033 | 0.71 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3868753-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2022-12-21 | — | — | EP | disclosed |
| EP-3328852-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING A NON-AROMATIC P2' GROUP | BRISTOL MYERS SQUIBB CO (US) | 2021-04-28 | — | — | EP | disclosed |
| EP-3328851-B1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL MYERS SQUIBB CO (US) | 2020-04-22 | — | — | EP | disclosed |
| EP-3099687-B1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-07-04 | — | — | EP | disclosed |
| EP-3099688-B1 | MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2880026-B1 | DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-02-22 | — | — | EP | disclosed |
| WO-2017019819-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |
| WO-2017019821-A1 | FACTOR XIA NEW MACROCYCLE BEARING A NON-AROMATIC P2' GROUP | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |
| EP-2882734-B1 | DIHYDROPYRIDONE AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-10-12 | — | — | EP | disclosed |
| EP-3070087-A1 | INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-09-21 | — | — | EP | disclosed |
| EP-2739625-B1 | CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2015116886-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |
| WO-2014022767-A1 | DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-06 | — | — | WO | disclosed |
| WO-2014022766-A1 | DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-06 | — | — | WO | disclosed |
| EP-1979331-B1 | TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP | MITSUBISHI TANABE PHARMA CORP (JP) | 2012-03-07 | — | — | EP | disclosed |