⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15420968 | 1.00 | — | — | |
| SCHEMBL15440840 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL15420964 | 0.83 | HTR3A (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL15546542 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL15420962 | 0.83 | HTR3A (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL38659915 | 0.76 | HDAC2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL15421237 | 0.75 | CHRM2 (0.46) | — | |
| SCHEMBL15420986 | 0.75 | HTR3A (0.37) | — | |
| SCHEMBL15420987 | 0.75 | HTR3A (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL31327108 | 0.73 | PRCP (0.35) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10407443-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-09-10 | — | — | US | disclosed |
| EP-2875012-B1 | 5HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2019-09-04 | — | — | EP | disclosed |
| US-20180327421-A1 | 5-HT3 RECEPTOR ANTAGONISTS | ENVOY THERAPEUTICS, INC. | 2018-11-15 | — | — | US | disclosed |
| US-10125145-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-11-13 | — | — | US | disclosed |
| US-20180072758-A1 | 5HT3 RECEPTOR ANTAGONISTS | TAKEDA CALIFORNIA, INC. | 2018-03-15 | — | — | US | disclosed |
| US-20170260201-A1 | 5-HT3 RECEPTOR ANTAGONISTS | ENVOY THERAPEUTICS, INC. | 2017-09-14 | — | — | US | disclosed |
| US-9695195-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-04 | — | — | US | disclosed |
| US-9670229-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-06-06 | — | — | US | disclosed |
| US-20160251373-A1 | 5-HT3 RECEPTOR ANTAGONISTS | ENVOY THERAPEUTICS, INC. | 2016-09-01 | — | — | US | disclosed |
| US-20160185801-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL (JP) | 2016-06-30 | — | — | US | disclosed |
| US-9346829-B2 | 5-HT3 receptor antagonists | TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) | 2016-05-24 | — | — | US | disclosed |
| US-9303045-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-04-05 | — | — | US | disclosed |
| US-20150291624-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-15 | — | — | US | disclosed |
| US-20150182533-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-02 | — | — | US | disclosed |
| US-9012447-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-21 | — | — | US | disclosed |
| US-20140024644-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-01-23 | — | — | US | disclosed |