⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11813536 | 0.75 | — | — | |
| SCHEMBL7817905 | 0.75 | — | — | |
| SCHEMBL3822789 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28064152 | 0.69 | — | — | |
| SCHEMBL4445159 | 0.69 | — | — | |
| Dichloroacetic Acid SCHEMBL2421911 | 0.68 | — | — | |
| SCHEMBL4954102 | 0.67 | — | — | |
| SCHEMBL7093020 | 0.67 | TP53 (0.39) | — | |
| SCHEMBL1567548 | 0.65 | — | — | |
| Dichloroacetic Acid SCHEMBL8427194 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0589037-B1 | INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME | ZERIA PHARM CO LTD (JP) | 1996-05-29 | — | — | EP | claimed |
| US-8415272-B2 | Quinoline derivatives and their use as fungicides | SYNGENTA CROP PROTECTION LLC (US) | 2013-04-09 | — | — | US | disclosed |
| EP-2231614-B1 | Quinoline derivatives and their use as fungicides | SYNGENTA PARTICIPATIONS AG (CH) | 2012-02-22 | — | — | EP | disclosed |
| US-20100280068-A1 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| EP-2231614-A2 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | Syngenta Participations AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009087098-A2 | QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-07-16 | — | — | WO | disclosed |
| US-20050215594-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-09-29 | — | — | US | disclosed |
| US-6919371-B2 | 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-07-19 | — | — | US | disclosed |
| EP-1389202-B1 | 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | BAYER PHARMACEUTICALS CORP (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20040072828-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2004-04-15 | — | — | US | disclosed |
| US-6699860-B2 | ADRENERGIC BLOCKING AGENTS | BAYER PHARMACEUTICALS CORPORATION | 2004-03-02 | — | — | US | disclosed |
| US-6660752-B2 | Adrenergic blocking agents | BAYER PHARMACEUTICALS CORPORATION | 2003-12-09 | — | — | US | disclosed |
| EP-1343778-A2 | DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS | Bayer Corporation (US) | 2003-09-17 | — | — | EP | disclosed |
| US-20030078260-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2003-04-24 | — | — | US | disclosed |
| US-20030078258-A1 | Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2003-04-24 | — | — | US | disclosed |
| WO-2002048134-A2 | DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2002-06-20 | — | — | WO | disclosed |