⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL8059306 | 0.81 | — | — | |
| Acetone SCHEMBL4827034 | 0.81 | — | — | |
| Formic Acid Methyl Ester SCHEMBL7652631 | 0.79 | ALDH1A1 (0.62) | — | |
| Acetic Acid SCHEMBL10886545 | 0.78 | — | — | |
| Butanone SCHEMBL1129513 | 0.78 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28925148 | 0.78 | — | — | |
| Butanone SCHEMBL28560258 | 0.78 | — | — | |
| Butanone SCHEMBL1510153 | 0.77 | — | — | |
| Butanone SCHEMBL1039820 | 0.77 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL8379087 | 0.77 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230050777-A1 | ADDITION SALT OF S1P1 RECEPTOR AGONIST AND CRYSTAL FORM THEREOF, AND PHARMACEUTICAL COMPOSITION | CONNECT BIOPHARMA HONGKONG LIMITED (HK) | 2023-02-16 | — | — | US | disclosed |
| US-11512078-B2 | Addition salt of S1P1 receptor agonist and crystal form thereof, and pharmaceutical composition | SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) | 2022-11-29 | — | — | US | disclosed |
| US-20210230152-A1 | ADDITION SALT OF S1P1 RECEPTOR AGONIST AND CRYSTAL FORM THEREOF, AND PHARMACEUTICAL COMPOSITION | CONNECT BIOPHARMA HONGKONG LIMITED (HK) | 2021-07-29 | — | — | US | disclosed |