⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15624030 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL14613693 | 0.68 | — | — | |
| SCHEMBL27405833 | 0.68 | — | — | |
| SCHEMBL19752668 | 0.65 | MB (0.33) | — | |
| Hydantoin SCHEMBL9798274 | 0.65 | — | — | |
| Hydantoin SCHEMBL27690 | 0.64 | — | — | |
| Hydantoin SCHEMBL7285865 | 0.64 | — | — | |
| Hydantoin SCHEMBL27705088 | 0.64 | CRBN (0.52) | — | |
| SCHEMBL22912366 | 0.63 | — | — | |
| SCHEMBL988003 | 0.63 | ALDH1A1 (0.51) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10906887-B2 | Amino compounds for treatment of immune and inflammatory disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-02-02 | — | — | US | disclosed |
| US-20180179185-A1 | AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-06-28 | — | — | US | disclosed |