⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1698463 | 0.86 | PIK3CD (0.35) | — | |
| SCHEMBL30991620 | 0.75 | — | — | |
| SCHEMBL197901 | 0.67 | — | — | |
| SCHEMBL1698460 | 0.64 | MAPT (0.37) | — | |
| SCHEMBL12395168 | 0.62 | MAPT (0.32) | — | |
| SCHEMBL6536728 | 0.62 | — | — | |
| SCHEMBL11120668 | 0.60 | — | — | |
| SCHEMBL1698550 | 0.60 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL12395164 | 0.60 | — | — | |
| SCHEMBL9200910 | 0.57 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102783482-B | 3-isothiazolinone composition | DALIAN BIO-CHEM CO., LTD. (CN) | 2014-10-22 | — | — | CN | disclosed |
| CN-102783483-B | 3-isothiazolinone composition | DALIAN BIO CHEMICAL CO LTD | 2014-07-16 | — | — | CN | disclosed |
| US-8349873-B2 | Factor XA inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8349873-B2 | Factor XA inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120088795-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2012-04-12 | — | — | US | disclosed |
| US-20120088795-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2012-04-12 | — | — | US | disclosed |
| US-8063077-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20110118244-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| US-20110118244-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| US-20100249117-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2010-09-30 | — | — | US | disclosed |
| US-7767697-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-03 | — | — | US | disclosed |
| US-7763608-B2 | Factor Xa inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20090030045-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2009-01-29 | — | — | US | disclosed |
| US-20070259924-A1 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. | 2007-11-08 | — | — | US | disclosed |