⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11820120 | 1.00 | — | — | |
| SCHEMBL1672766 | 1.00 | — | — | |
| SCHEMBL20915093 | 0.80 | GRIN2D (0.67) | — | |
| SCHEMBL20915092 | 0.80 | GRIN2D (0.67) | — | |
| SCHEMBL2919114 | 0.78 | — | — | |
| SCHEMBL14671557 | 0.78 | — | — | |
| SCHEMBL2446383 | 0.78 | — | — | |
| SCHEMBL8991870 | 0.76 | — | — | |
| SCHEMBL19841884 | 0.76 | — | — | |
| SCHEMBL17264865 | 0.76 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011042477-A1 | SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS | KARO BIO AB (SE) | 2011-04-14 | — | — | WO | claimed |
| CN-109438471-A | tricyclic isoxazole compound and preparation method and application thereof | 中国人民解放军第二军医大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-106061977-B | 1, 2-dihydro-3H-pyrrolo [1,2-C ] imidazol-3-one derivatives and their use as antibacterial agents | 爱杜西亚药品有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-102329326-B | Pyrrole derivatives and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2014-04-09 | — | — | CN | disclosed |
| CN-101321748-B | Isoquinoline derivatives | ORGANON NV | 2013-03-27 | — | — | CN | disclosed |
| CN-102329326-A | Pyrrole derivatives and preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2012-01-25 | — | — | CN | disclosed |
| CN-102292826-A | Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound | — | 2011-12-21 | — | — | CN | disclosed |
| US-8071650-B2 | Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea | PACIFIC CORPORATION (KR) | 2011-12-06 | — | — | US | disclosed |
| CN-1798559-B | Quinoline-2-one-derivatives for the treatment of airways diseases | NOVARTIS AG | 2010-05-12 | — | — | CN | disclosed |
| CN-101321748-A | Isoquinoline derivatives | ORGANON NV (NL) | 2008-12-10 | — | — | CN | disclosed |
| CN-1798559-A | Quinoline-2-one-derivatives for the treatment of airways diseases | NOVARTIS AG (CH) | 2006-07-05 | — | — | CN | disclosed |
| EP-1303483-A4 | NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | PACIFIC CORP (KR) | 2004-11-03 | — | — | EP | disclosed |
| US-20030153596-A1 | Novel thiourea derivatives and the pharmaceutical compositions containing the same | PACIFIC CORPORATION (KR) | 2003-08-14 | — | — | US | disclosed |
| CN-1418191-A | Novel thiourea derivatives and pharmaceutical compositions containing the same | PACFIC CORP (KR) | 2003-05-14 | — | — | CN | disclosed |
| EP-1303483-A1 | NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | PACIFIC CORPORATION (KR) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002016318-A1 | NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | PACIFIC CORPORATION (KR) | 2002-02-28 | — | — | WO | disclosed |
| US-5231034-A | Coloring solutions by reaction with cupric chloride, centrifuging to obtain a pellet and supernatant, detection | MCLEAN HOSPITAL (US) | 1993-07-27 | — | — | US | disclosed |
| US-4353915-A | ARTHROPODICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-10-12 | — | — | US | disclosed |
| US-3985539-A | 4,5-Dihalopyrrole-2-carbonitrile-containing terrestrial and aquatic hebicidal composition | STERLING DRUG INC. (US) | 1976-10-12 | — | — | US | disclosed |
| US-3932458-A | Antimicrobial and plant-active 4,5-dihalopyrrole-2-carbonitriles | STERLING DRUG INC. (US) | 1976-01-13 | — | — | US | disclosed |