⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3636128 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL22919861 | 0.78 | — | — | |
| SCHEMBL11305037 | 0.78 | — | — | |
| SCHEMBL10796071 | 0.77 | TET2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL16057672 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL16056898 | 0.76 | HMGCR (0.31) | — | |
| SCHEMBL16057383 | 0.76 | — | — | |
| SCHEMBL6054231 | 0.76 | ALDH1A1 (0.56) | — | |
| SCHEMBL10056872 | 0.75 | TET2 (0.39) | — | |
| SCHEMBL30668515 | 0.74 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3998260-A1 | SGC STIMULATORS | Cyclerion Therapeutics, Inc. (US) | 2022-05-18 | — | — | EP | disclosed |
| EP-2970243-A2 | SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014144100-A2 | SGC STIMULATORS | NAKAI TAKASHI (US) | 2014-09-18 | — | — | WO | disclosed |