⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130886 | 0.65 | — | — | |
| SCHEMBL17941619 | 0.65 | — | — | |
| SCHEMBL23473 | 0.64 | — | — | |
| SCHEMBL450905 | 0.62 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.62 | — | — | |
| Benzo[D]Isoxazole SCHEMBL8438 | 0.62 | — | — | |
| SCHEMBL60224 | 0.61 | CYP2A6 (0.38) | — | |
| SCHEMBL286537 | 0.61 | — | — | |
| SCHEMBL1487929 | 0.61 | — | — | |
| SCHEMBL129743 | 0.61 | — | — |
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
Appears in 3210 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3717477-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-07-20 | — | — | EP | claimed |
| US-20200392125-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2020-12-17 | — | — | US | claimed |
| EP-3717477-A1 | NEW HETEROCYCLIC COMPOUNDS | H. Hoffnabb-La Roche Ag (CH) | 2020-10-07 | — | — | EP | claimed |
| US-20200031799-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2020-01-30 | — | — | US | claimed |
| US-20200031800-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2020-01-30 | — | — | US | claimed |
| US-20190263783-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2019-08-29 | — | — | US | claimed |
| US-20190263818-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2019-08-29 | — | — | US | claimed |
| US-10308637-B2 | Therapeutic inhibitory compounds | LIFESCI PHARMACEUTICALS, INC. (BB) | 2019-06-04 | — | — | US | claimed |
| EP-3481391-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | Lifesci Pharmaceuticals, Inc. (BB) | 2019-05-15 | — | — | EP | claimed |
| US-20190002437-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2019-01-03 | — | — | US | claimed |
| EP-1147114-B1 | NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY | ASTRAZENECA AB (SE) | 2003-05-21 | — | — | EP | claimed |
| EP-0763534-B1 | Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors | MERCK PATENT GMBH (DE) | 2003-02-26 | — | — | EP | claimed |
| WO-2002076976-A2 | RHO-KINASE INHIBITORS | BAYER CORPORATION (US) | 2002-10-03 | — | — | WO | claimed |
| EP-1147114-A1 | NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY | AstraZeneca AB (SE) | 2001-10-24 | — | — | EP | claimed |
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| WO-2000042044-A1 | NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY | ASTRAZENECA AB (SE) | 2000-07-20 | — | — | WO | claimed |
| WO-1999045013-A1 | 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1999-09-10 | — | — | WO | claimed |
| US-5859008-A | Arylalkyl diazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-01-12 | — | — | US | claimed |
| EP-0822187-A1 | PYRAZOLE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-02-04 | — | — | EP | claimed |
| US-5401738-A | Angiotensin antagonist, hypotensive, aldosteronism, cardiac insufficiency | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) | 1995-03-28 | — | — | US | claimed |