⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1462152 | 1.00 | — | — | |
| SCHEMBL1462155 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1465292 | 0.97 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1465289 | 0.97 | ALDH1A1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2499956 | 0.85 | DPP4 (0.32) | — | |
| SCHEMBL22814569 | 0.78 | — | — | |
| SCHEMBL15727234 | 0.76 | — | — | |
| SCHEMBL794067 | 0.76 | — | — | |
| SCHEMBL15387030 | 0.76 | — | — | |
| SCHEMBL14365720 | 0.75 | JAK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8044068-B2 | Aminopyrrolidine compound | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2011-10-25 | — | — | US | disclosed |
| US-20110172422-A1 | Methods of Making Pharmacokinetically Improved Compounds Comprising Functional Residues or Groups and Pharmaceutical Compositions Comprising Said Compounds | SURFACE LOGIX, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-20100093719-A1 | PHARMACOKINETICALLY IMPROVED COMPOUNDS | SURFACE LOGIX, INC. (US) | 2010-04-15 | — | — | US | disclosed |
| US-20100093719-A1 | PHARMACOKINETICALLY IMPROVED COMPOUNDS | SURFACE LOGIX, INC. (US) | 2010-04-15 | — | — | US | disclosed |
| US-20090291940-A1 | AMINOPYRROLIDINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-11-26 | — | — | US | disclosed |
| US-20080176844-A1 | Pharmacokinetically Improved Compounds | SURFACE LOGIX, INC. | 2008-07-24 | — | — | US | disclosed |
| US-20080176844-A1 | Pharmacokinetically Improved Compounds | SURFACE LOGIX, INC. | 2008-07-24 | — | — | US | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2006089275-A2 | METHODS OF MAKING PHARMACOKINETICALLY IMPROVED COMPOUNDS COMPRISING FUNCTIONAL RESIDUES OR GROUPS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS | SURFACE LOGIX, INC. (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |