⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18677542 | 0.67 | — | — | |
| SCHEMBL115627 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27739788 | 0.64 | — | — | |
| SCHEMBL8610688 | 0.64 | — | — | |
| SCHEMBL11584346 | 0.64 | — | — | |
| Ether SCHEMBL8966241 | 0.64 | — | — | |
| SCHEMBL23692556 | 0.62 | — | — | |
| SCHEMBL18587196 | 0.61 | — | — | |
| SCHEMBL115628 | 0.61 | — | — | |
| SCHEMBL27904616 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025038910-A1 | CRYSTALLINE POLYMORPH FORM A OF A JAK INHIBITOR AND METHODS FOR ITS PREPARATION | ACLARIS THERAPEUTICS, INC. (US) | 2025-02-20 | — | — | WO | disclosed |
| US-4310460-A | Process for the production of 6-D-α-amino-p-hydroxyphenylacetamido penicillanic acid | DOBFAR S.P.A. (IT) | 1982-01-12 | — | — | US | disclosed |