⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13106577 | 0.79 | EPHX2 (0.38) | — | |
| SCHEMBL14254657 | 0.79 | EPHX2 (0.38) | — | |
| SCHEMBL13888946 | 0.79 | EPHX2 (0.38) | — | |
| SCHEMBL13757281 | 0.73 | — | — | |
| SCHEMBL18779683 | 0.70 | — | — | |
| SCHEMBL16682997 | 0.70 | — | — | |
| SCHEMBL12410033 | 0.70 | — | — | |
| SCHEMBL18505809 | 0.67 | BRD4 (0.34) | — | |
| SCHEMBL1707684 | 0.67 | — | — | |
| SCHEMBL20052040 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11639353-B2 | Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-05-02 | — | — | US | disclosed |
| US-20180222894-A1 | N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof | NORTHEASTERN UNIVERSITY | 2018-08-09 | — | — | US | disclosed |
| US-9963444-B2 | N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof | NORTHEASTERN UNIVERSITY (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170114050-A1 | N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof | NORTHEASTERN UNIVERSITY | 2017-04-27 | — | — | US | disclosed |