⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1019049 | 0.92 | — | — | |
| SCHEMBL28626065 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL9743864 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL28312201 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL11199004 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL6154378 | 0.90 | CES2 (0.54) | — | |
| SCHEMBL2124608 | 0.83 | — | — | |
| SCHEMBL5857032 | 0.81 | — | — | |
| SCHEMBL20751370 | 0.81 | CES2 (0.45) | — | |
| SCHEMBL9745146 | 0.80 | TERT (0.61) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2888245-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029723-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-27 | — | — | WO | disclosed |
| EP-1038018-A4 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | SCRIPPS RESEARCH INST (US) | 2004-10-13 | — | — | EP | disclosed |
| EP-1038018-A1 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | The Scripps Research Institute (US) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999031263-A1 | ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-06-24 | — | — | WO | disclosed |
| EP-0649303-B1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RES FOUNDATION INC (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0649303-A4 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF. | CORNELL RES FOUNDATION INC (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0649303-A1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1993024126-A1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 1993-12-09 | — | — | WO | disclosed |
| EP-0406640-A2 | Thermoplastic polycarbonate compositions having improved oxygen barrier properties | GENERAL ELECTRIC COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |
| EP-0054166-A1 | Process for the preparation of 5-oxohexanoic acid alkyl esters and of 5-oxohexane nitrile | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-23 | — | — | EP | disclosed |