⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL333220 | 0.95 | — | — | |
| Propane SCHEMBL20378726 | 0.84 | — | — | |
| Isopropylamine SCHEMBL1173465 | 0.84 | — | — | |
| Isopropylamine SCHEMBL316025 | 0.80 | — | — | |
| Isopropylamine SCHEMBL6520335 | 0.80 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.78 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.78 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.78 | — | — | |
| Propane SCHEMBL7456413 | 0.76 | — | — | |
| Propane SCHEMBL27502042 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003155-A | 3,4 dihydro -1H [1,8] naphthyridones of the homopiperidinyl substitution of antibacterial | 爱尔兰詹森科学公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-104039782-A | Antibacterial homopiperidinyl substituted 3,4 dihydro 1H 1,8 naphthyridones | JANSSEN R & D IRELAND | 2014-09-10 | — | — | CN | disclosed |
| CN-101252928-B | Quinoline derivatives as antibacterial agents | JANSSEN PHARMACEUTICA NV | 2012-05-23 | — | — | CN | disclosed |
| CN-101252928-A | Quinoline derivatives as antibacterial agents | JANSSEN PHARMACEUTICA NV (BE) | 2008-08-27 | — | — | CN | disclosed |
| CN-1956980-A | Mercaptoimidazoles as CCR2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2007-05-02 | — | — | CN | disclosed |
| CN-1745069-A | Mercaptoimidazoles as CCR2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2006-03-08 | — | — | CN | disclosed |
| CN-1106387-C | PDE IV inhibiting 2-cyanoiminoimidazole derivs. | JANSSEN PHARMACEUTICA NV (BE) | 2003-04-23 | — | — | CN | disclosed |
| CN-1068591-C | 1, 3 -dihydro -1 -(phenylalkyl) -2H -imdiazol- 2 -one derivatives having PDEIV and cytokine activity | JANSSEN PHARMACEUTICA NV (BE) | 2001-07-18 | — | — | CN | disclosed |
| CN-1232456-A | PDE IV inhibiting 2-cyanoiminoimidazole derivs. | JANSSEN PHARMACEUTICA NV (BE) | 1999-10-20 | — | — | CN | disclosed |
| CN-1181072-A | 1, 3 -dihydro -1 -(phenylalkyl) -2H -imdiazol- 2 -one derivatives having PDEIV and cytokine activity | JANSSEN PHARMACEUTICA NV (BE) | 1998-05-06 | — | — | CN | disclosed |
| CN-1062530-A | Isonicotinic acid derivatives and corresponding spirocyclic compound thereof with herbicide effect | JANSSEN PHARMACEUTICA NV (BE) | 1992-07-08 | — | — | CN | disclosed |