⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22962292 | 0.79 | CYP2D6 (0.35) | — | |
| SCHEMBL22962311 | 0.79 | CYP2D6 (0.35) | — | |
| SCHEMBL22962266 | 0.79 | CYP2D6 (0.35) | — | |
| SCHEMBL12563459 | 0.74 | CYP2D6 (0.41) | — | |
| SCHEMBL24941832 | 0.70 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19131786 | 0.69 | — | — | |
| SCHEMBL4817167 | 0.67 | APEX1 (0.32) | — | |
| SCHEMBL10648719 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL16249378 | 0.66 | — | — | |
| SCHEMBL25135380 | 0.65 | SMN1; SMN2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2069417-B1 | POLYURETHANE FOAMS MADE FROM HYDROXYMETHYL-CONTAINING POLYESTER POLYOLS AND TERTIARY AMINE-CONTAINING POLYOLS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-12-12 | — | — | EP | claimed |
| CN-101516951-A | Polyurethane foams made from hydroxymethyl-containing polyester polyols and tertiary amine-containing polyols | DOW GLOBAL TECHNOLOGIES INC (US) | 2009-08-26 | — | — | CN | claimed |
| US-20040242832-A1 | Autocatalytic polyols with gelling characteristics and polyurethane products made therefrom | CASATI FRANCOIS M (CH) | 2004-12-02 | — | — | US | claimed |
| US-20100010110-A1 | POLYURETHANE FOAMS MADE FROM HYDROXYMETHYL-CONTAINING POLYESTER POLYOLS AND TERTIARY AMINE-CONTAINING POLYOLS | DOW GLOBAL TECHNOLOGIES INC (US) | 2010-01-14 | — | — | US | disclosed |
| CN-101516951-A | Polyurethane foams made from hydroxymethyl-containing polyester polyols and tertiary amine-containing polyols | DOW GLOBAL TECHNOLOGIES INC (US) | 2009-08-26 | — | — | CN | disclosed |
| CN-1633454-A | Autocatalytic polyols with gelling characteristics and polyurethane products made therefrom | DOW GLOBAL TECHNOLOGIES INC (US) | 2005-06-29 | — | — | CN | disclosed |
| US-20040242832-A1 | Autocatalytic polyols with gelling characteristics and polyurethane products made therefrom | CASATI FRANCOIS M (CH) | 2004-12-02 | — | — | US | disclosed |
| EP-1442070-A1 | AUTOCATALYTIC POLYOLS WITH GELLING CHARACTERISTICS AND POLYURETHANE PRODUCTS MADE THEREFROM | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003029320-A1 | AUTOCATALYTIC POLYOLS WITH GELLING CHARACTERISTICS AND POLYURETHANE PRODUCTS MADE THEREFROM | DOW GLOBAL TECHNOLOGIES INC. (US) | 2003-04-10 | — | — | WO | disclosed |