⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8173264 | 1.00 | — | — | |
| SCHEMBL24860992 | 0.76 | — | — | |
| SCHEMBL14394622 | 0.74 | — | — | |
| SCHEMBL13954065 | 0.74 | — | — | |
| SCHEMBL10187591 | 0.74 | — | — | |
| SCHEMBL13004832 | 0.73 | — | — | |
| SCHEMBL19792366 | 0.73 | — | — | |
| SCHEMBL27182557 | 0.71 | — | — | |
| SCHEMBL19844066 | 0.71 | — | — | |
| SCHEMBL19071745 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3428163-B1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2024-02-28 | — | — | EP | disclosed |
| EP-3295940-A1 | COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY | Case Western Reserve University (US) | 2018-03-21 | — | — | EP | disclosed |
| EP-2271622-B1 | Heteroaryl derivatives as CFTR Modulators | VERTEX PHARMA (US) | 2017-10-04 | — | — | EP | disclosed |
| EP-3205648-A1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | Seragon Pharmaceuticals, Inc. (US) | 2017-08-16 | — | — | EP | disclosed |
| US-9714228-B2 | Dihydrofuran derivatives as insecticidal compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2017-07-25 | — | — | US | disclosed |
| WO-2017001924-A1 | THERAPEUTIC INHIBITORY COMPOUDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2017-01-05 | — | — | WO | disclosed |
| WO-2009134668-A2 | 4-OXO-1,4-DIHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2009-11-05 | — | — | WO | disclosed |
| US-20090042856-A1 | PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN | ASTELLAS PHARMA INC (JP) | 2009-02-12 | — | — | US | disclosed |
| WO-2007076474-A1 | NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES | KALYPSYS, INC. (US) | 2007-07-05 | — | — | WO | disclosed |