⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2026141 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL290421 | 0.67 | — | — | |
| SCHEMBL2165870 | 0.67 | — | — | |
| SCHEMBL314962 | 0.67 | — | — | |
| SCHEMBL34523 | 0.67 | — | — | |
| SCHEMBL3889898 | 0.65 | — | — | |
| SCHEMBL4902779 | 0.63 | CCR1 (0.41) | — | |
| SCHEMBL1244329 | 0.62 | — | — | |
| SCHEMBL17710366 | 0.62 | — | — | |
| SCHEMBL132258 | 0.62 | IDH1 (0.33) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961093-A | Method for reducing C = C double bond of nitroolefin with high selectivity | 北京化工大学 | 2021-06-15 | — | — | CN | claimed |
| CN-112961093-A | Method for reducing C = C double bond of nitroolefin with high selectivity | 北京化工大学 | 2021-06-15 | — | — | CN | disclosed |
| US-9556185-B2 | Organic compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2017-01-31 | — | — | US | disclosed |
| EP-2576550-B1 | ORGANIC COMPOUNDS | INTRA CELLULAR THERAPIES INC (US) | 2016-05-11 | — | — | EP | disclosed |
| EP-2576550-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20130085123-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-04-04 | — | — | US | disclosed |
| WO-2011153129-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2011-12-08 | — | — | WO | disclosed |
| US-7521454-B2 | Adenine derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-04-21 | — | — | US | disclosed |
| EP-1386923-B1 | NOVEL ADENINE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-20070037832-A1 | 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-02-15 | — | — | US | disclosed |
| US-7157465-B2 | Adenine derivatives | DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |
| CN-1250548-C | Novel adenine derivatives | SUMITOMO PHARMA (JP) | 2006-04-12 | — | — | CN | disclosed |
| CN-1512992-A | Novel adenine derivatives | ס����ҩ��ʽ���� | 2004-07-14 | — | — | CN | disclosed |
| US-20040132748-A1 | Novel adenne derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2004-07-08 | — | — | US | disclosed |
| EP-1386923-A1 | NOVEL ADENINE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| EP-0525768-A1 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1993-02-03 | — | — | EP | disclosed |
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |