⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20545047 | 0.90 | — | — | |
| SCHEMBL7875657 | 0.82 | — | — | |
| SCHEMBL2585569 | 0.77 | — | — | |
| SCHEMBL10120677 | 0.74 | — | — | |
| SCHEMBL15133564 | 0.72 | — | — | |
| SCHEMBL2206428 | 0.72 | — | — | |
| SCHEMBL17057918 | 0.72 | — | — | |
| SCHEMBL2583995 | 0.72 | — | — | |
| SCHEMBL12462586 | 0.71 | — | — | |
| SCHEMBL3659642 | 0.71 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090318690-A1 | Benzisoxazole Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |
| US-20090318690-A1 | Benzisoxazole Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |
| US-20090318690-A1 | Benzisoxazole Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |
| US-7629353-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists | HOFFMAN-LA ROCHE INC. (US) | 2009-12-08 | — | — | US | disclosed |
| EP-2017275-A1 | BENZISOXAZOLE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2009-01-21 | — | — | EP | disclosed |
| EP-1904477-B1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-01-21 | — | — | EP | disclosed |
| US-20080146557-A1 | INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS | BISSANTZ CATERINA | 2008-06-19 | — | — | US | disclosed |
| EP-1904477-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| US-7332501-B2 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2008-02-19 | — | — | US | disclosed |
| US-20070027173-A1 | Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-01 | — | — | US | disclosed |
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |
| EP-1230224-B1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2004-12-29 | — | — | EP | disclosed |
| US-6821980-B1 | Substituted 5-benzyl-2,4-diaminopyrimidines | BASILEA PHARMACEUTICA AG (CH) | 2004-11-23 | — | — | US | disclosed |
| EP-1230224-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032633-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2001-05-10 | — | — | WO | disclosed |