⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19088312 | 1.00 | — | — | |
| SCHEMBL7942141 | 1.00 | — | — | |
| SCHEMBL12533497 | 1.00 | — | — | |
| SCHEMBL24465858 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL19674892 | 0.80 | PTGS1 (0.30) | — | |
| SCHEMBL18479717 | 0.78 | — | — | |
| SCHEMBL15787790 | 0.76 | — | — | |
| SCHEMBL24401600 | 0.76 | — | — | |
| SCHEMBL24751913 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL12087534 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230167088-A1 | 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-01 | — | — | US | disclosed |
| EP-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |
| EP-2917219-B1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | PFIZER (US) | 2017-09-27 | — | — | EP | disclosed |
| EP-2064177-B1 | PROTEASE INHIBITORS | TAIMED BIOLOGICS INC (TW) | 2017-04-05 | — | — | EP | disclosed |
| EP-2935272-B1 | PYRAZOLE SUBSTITUTED IMIDAZOPYRAZINES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-2686318-B1 | PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS | CANCER REC TECH LTD (GB) | 2016-03-09 | — | — | EP | disclosed |
| EP-2274307-B1 | BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECHNOLOGIES INC (US) | 2015-07-29 | — | — | EP | disclosed |
| EP-2832728-A1 | TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR | Nissan Chemical Industries, Ltd. (JP) | 2015-02-04 | — | — | EP | disclosed |
| EP-2445909-B1 | DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES | BOEHRINGER INGELHEIM INT (DE) | 2013-11-13 | — | — | EP | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |