⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5780697 | 0.83 | — | — | |
| SCHEMBL295035 | 0.76 | CYP1A2 (0.54) | — | |
| SCHEMBL2478096 | 0.74 | — | — | |
| SCHEMBL5201973 | 0.74 | — | — | |
| SCHEMBL2476823 | 0.74 | BACE1 (0.50) | — | |
| SCHEMBL865202 | 0.74 | CRHBP (0.32) | — | |
| SCHEMBL2902738 | 0.74 | TRPV4 (0.31) | — | |
| SCHEMBL5780870 | 0.74 | — | — | |
| SCHEMBL17443558 | 0.74 | MAOA (0.43) | — | |
| SCHEMBL207799 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563713-A | 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine | 王兴理 | 2019-12-13 | — | — | CN | claimed |
| CN-110563713-A | 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine | 王兴理 | 2019-12-13 | — | — | CN | 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 |
| EP-1615890-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | WARNER-LAMBERT COMPANY (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004089903-A9 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | WARNER LAMBERT CO (US) | 2005-10-27 | — | — | WO | disclosed |
| US-20040214832-A1 | Piperazine derivative renin inhibitors | WARNER-LAMBERT COMPANY LLC | 2004-10-28 | — | — | US | disclosed |
| WO-2004089915-A1 | PIPERAZINE DERIVATIVE RENIN INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-10-21 | — | — | WO | disclosed |
| WO-2004089903-A1 | PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION | WARNER-LAMBERT COMPANY LLC (US) | 2004-10-21 | — | — | WO | disclosed |
| US-20040204455-A1 | Piperidine derivative rennin inhibitors | WARNER-LAMBERT COMPANY LLC | 2004-10-14 | — | — | US | 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 |