⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19154844 | 0.79 | — | — | |
| SCHEMBL18779683 | 0.77 | — | — | |
| SCHEMBL13927965 | 0.76 | CA12 (0.38) | — | |
| SCHEMBL6726839 | 0.72 | GPR119 (0.37) | — | |
| SCHEMBL12410033 | 0.70 | — | — | |
| SCHEMBL18779681 | 0.70 | — | — | |
| SCHEMBL13605266 | 0.69 | — | — | |
| SCHEMBL13221490 | 0.69 | CHRNB2 (0.45) | — | |
| SCHEMBL13106755 | 0.69 | APLNR (0.36) | — | |
| SCHEMBL6354239 | 0.67 | — | — |
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 7 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 |
| US-9359338-B2 | Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents | CROWN BIOSCIENCE INC. (TAIWAN) (TW) | 2016-06-07 | — | — | US | disclosed |
| US-20150197511-A1 | CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS | APOLLOMICS INC. | 2015-07-16 | — | — | US | disclosed |
| US-20150119378-A1 | AZETIDINYLOXY-, PYRROLIDINYLOXY-, AND PIPERIDINYLOXY-SUBSTITUTED METANICOTINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT INC (US) | 2015-04-30 | — | — | US | disclosed |