⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5143910 | 0.92 | MEN1 (0.50) | — | |
| SCHEMBL19607964 | 0.90 | ALDH1A1 (0.54) | — | |
| SCHEMBL9717465 | 0.86 | MEN1 (0.48) | — | |
| SCHEMBL7707699 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL1156355 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL8746936 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL9717412 | 0.83 | NAAA (0.56) | — | |
| SCHEMBL1387340 | 0.82 | — | — | |
| SCHEMBL1156656 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL12834799 | 0.81 | NAAA (0.65) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125797-B1 | AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-01-15 | — | — | EP | disclosed |
| EP-2069336-B1 | PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-12-26 | — | — | EP | disclosed |
| US-7691867-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2010-04-06 | — | — | US | disclosed |
| EP-1613619-B1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-03-26 | — | — | EP | disclosed |
| US-7217706-B2 | Propanolamine derivatives | ASTELLAS PHARMA INC. (JP) | 2007-05-15 | — | — | US | disclosed |
| US-20060270692-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2006-11-30 | — | — | US | disclosed |
| EP-1613619-A1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004094410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-11-04 | — | — | WO | disclosed |
| EP-1382333-A2 | Use of beta 3 adrenergic receptor agonists in the treatment of dysuria | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-01-21 | — | — | EP | disclosed |
| US-6495546-B1 | SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-17 | — | — | US | disclosed |
| US-20020120148-A1 | Propanolamine derivatives | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2002-08-29 | — | — | US | disclosed |
| EP-1070046-A1 | PROPANOLAMINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051564-A1 | PROPANOLAMINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-14 | — | — | WO | disclosed |