⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2003609 | 0.70 | — | — | |
| SCHEMBL1147062 | 0.69 | — | — | |
| SCHEMBL7995627 | 0.66 | — | — | |
| SCHEMBL1999085 | 0.66 | — | — | |
| SCHEMBL18965499 | 0.66 | — | — | |
| SCHEMBL1751616 | 0.65 | — | — | |
| SCHEMBL6006685 | 0.65 | — | — | |
| SCHEMBL1998704 | 0.65 | — | — | |
| SCHEMBL2005409 | 0.64 | — | — | |
| SCHEMBL1259183 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149703-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVES | JITSUOKA MAKOTO (JP) | 2012-06-14 | — | — | US | disclosed |
| US-8158791-B2 | Aza-substituted spiro derivatives | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| US-7960402-B2 | Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7960394-B2 | 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20090258871-A1 | Aza-Substituted Spiro Derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-10-15 | — | — | US | disclosed |
| EP-1795527-B1 | CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMA CO LTD (JP) | 2009-04-22 | — | — | EP | disclosed |
| US-20080275069-A1 | Quinazoline Derivative | MSD K.K. (JP) | 2008-11-06 | — | — | US | disclosed |
| EP-1953165-A1 | AZA-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-20080171753-A1 | Carbamoyl-Substituted Spiro Derivative | MSD K.K. (JP) | 2008-07-17 | — | — | US | disclosed |
| EP-1795527-A1 | CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-06-13 | — | — | EP | disclosed |
| EP-1757594-A1 | QUINAZOLINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-02-28 | — | — | EP | disclosed |