⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18088130 | 1.00 | — | — | |
| SCHEMBL20793487 | 0.78 | — | — | |
| SCHEMBL27475668 | 0.78 | — | — | |
| SCHEMBL18713462 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL12655783 | 0.78 | — | — | |
| SCHEMBL22330667 | 0.78 | — | — | |
| SCHEMBL23571270 | 0.74 | — | — | |
| SCHEMBL19465394 | 0.74 | — | — | |
| SCHEMBL23192957 | 0.74 | — | — | |
| SCHEMBL18857461 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3988549-A1 | MACROCYCLES WITH HETEROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-04-27 | — | — | EP | disclosed |
| US-20190355917-A1 | Organic Electroluminescent Element And Novel Iridium Complex | UDC IRELAND LTD (IE) | 2019-11-21 | — | — | US | disclosed |
| EP-3099687-B1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-07-04 | — | — | EP | disclosed |
| EP-3053918-B1 | 2-carbazole substituted benzimidazoles for electronic applications | IDEMITSU KOSAN CO (JP) | 2018-04-11 | — | — | EP | disclosed |
| EP-3099688-B1 | MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| US-9777001-B2 | Macrocycles with aromatic P2′ groups as factor xia inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-03 | — | — | US | disclosed |
| WO-2017095950-A2 | COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2017-06-08 | — | — | WO | disclosed |
| US-20170096429-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-06 | — | — | US | disclosed |
| US-9590196-B2 | Dinuclear metal complexes comprising carbene ligands and the use thereof in OLEDs | UDC IRELAND LIMITED (IE) | 2017-03-07 | — | — | US | disclosed |