⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10447542 | 0.83 | CYP2D6 (0.62) | — | |
| SCHEMBL5145587 | 0.82 | — | — | |
| SCHEMBL2623081 | 0.80 | CYP2D6 (0.52) | — | |
| SCHEMBL564899 | 0.79 | — | — | |
| SCHEMBL6644938 | 0.79 | CYP2D6 (0.56) | — | |
| SCHEMBL7506619 | 0.78 | APAF1 (0.40) | — | |
| SCHEMBL17122531 | 0.78 | FAAH (0.36) | — | |
| SCHEMBL19559001 | 0.77 | — | — | |
| SCHEMBL8183822 | 0.77 | — | — | |
| SCHEMBL17313809 | 0.77 | CYP2D6 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |
| US-7576218-B2 | 4-phenylpiperdine-pyrazole CCR1 antagonists | CHEMOCENTRYX, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-7576218-B2 | 4-phenylpiperdine-pyrazole CCR1 antagonists | CHEMOCENTRYX, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-6894007-B2 | Additives for inhibiting gas hydrate formation | CLARIANT GMBH (DE) | 2005-05-17 | — | — | US | disclosed |
| US-20030013614-A1 | Additives for inhibiting gas hydrate formation | CLARIANT GMBH | 2003-01-16 | — | — | US | disclosed |
| US-4898871-A | Pyrrole derivatives and pharmaceutical compositions which contain them as hypnotics and anticonvulsants | RHONE-POULENC SANTE (FR) | 1990-02-06 | — | — | US | disclosed |