⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9205274 | 0.80 | — | — | |
| SCHEMBL6682143 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL11493960 | 0.73 | — | — | |
| SCHEMBL9212600 | 0.70 | — | — | |
| SCHEMBL29059582 | 0.67 | — | — | |
| SCHEMBL28456768 | 0.67 | — | — | |
| SCHEMBL5241105 | 0.66 | — | — | |
| SCHEMBL11628184 | 0.64 | — | — | |
| SCHEMBL13816171 | 0.63 | — | — | |
| SCHEMBL11074497 | 0.63 | ALDH1A1 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648707-A1 | HYDROXYLATED TRICYCLIC COMPOUNDS | Nektar Therapeutics (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012079017-A1 | HYDROXYLATED TRICYCLIC COMPOUNDS | NEKTAR THERAPEUTICS (US) | 2012-06-14 | — | — | WO | disclosed |
| US-7361668-B2 | Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors | UCB, S.A. (BE) | 2008-04-22 | — | — | US | disclosed |
| US-7112696-B2 | Preparation of phosphorus compounds | BAYER CHEMICALS AG (DE) | 2006-09-26 | — | — | US | disclosed |
| US-20050020660-A1 | Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors | UCB, S.A. (BE) | 2005-01-27 | — | — | US | disclosed |
| US-20050020835-A1 | Preparation of phosphorus compounds | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-27 | — | — | US | disclosed |
| EP-1475384-A1 | Process for preparing phosphorus compounds | Bayer Chemicals AG (DE) | 2004-11-10 | — | — | EP | disclosed |
| US-4083997-A | ANTIDEPRESSANTS | SANDOZ, INC. (US) | 1978-04-11 | — | — | US | disclosed |
| US-3994961-A | ANTIDEPRESSANTS | SANDOZ, INC. (US) | 1976-11-30 | — | — | US | disclosed |
| US-3925476-A | 10-(2-Dialkylaminoethyl)-10,11-dihydro, or 10-(2-dialkylaminoethyl)-5-methylene-2,7-substituted or unsubstituted-5H-dibenzo{8 a,d{9 cycloheptenes | SANDOZ AG | 1975-12-09 | — | — | US | disclosed |