⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17476060 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL5197112 | 0.82 | S1PR4 (0.32) | — | |
| SCHEMBL4421188 | 0.80 | — | — | |
| SCHEMBL15337447 | 0.80 | — | — | |
| SCHEMBL19443129 | 0.75 | — | — | |
| SCHEMBL8470900 | 0.75 | — | — | |
| SCHEMBL13318883 | 0.75 | — | — | |
| SCHEMBL266223 | 0.74 | — | — | |
| SCHEMBL24050451 | 0.71 | — | — | |
| SCHEMBL14909327 | 0.71 | TAAR1 (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369635-B | Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition | 赛克里翁治疗有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-109384778-B | Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder | 赛克里翁治疗有限公司 | 2022-12-13 | — | — | CN | disclosed |
| CN-110016020-B | Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof | 赛克里翁治疗有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-108912111-B | Compounds and pharmaceutical compositions | 赛克里翁治疗有限公司 | 2021-09-14 | — | — | CN | disclosed |
| US-20210214364-A1 | sGC STIMULATORS | CYCLERION THERAPEUTICS INC (US) | 2021-07-15 | — | — | US | disclosed |
| EP-3092231-B1 | SGC STIMULATORS | IRONWOOD PHARMACEUTICALS INC (US) | 2018-06-27 | — | — | EP | disclosed |
| US-20160311826-A1 | SGC STIMULATORS | CYCLERION THERAPEUTICS, INC. | 2016-10-27 | — | — | US | disclosed |
| US-5395838-A | Aromatic aminomethyl substitutes compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-03-07 | — | — | US | disclosed |
| EP-0373891-B1 | Anti-tumour agents | ICI PLC (GB) | 1994-11-02 | — | — | EP | disclosed |
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5089499-A | Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-18 | — | — | US | disclosed |
| EP-0373891-A2 | Anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-20 | — | — | EP | disclosed |