⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5479582 | 0.88 | IDO1 (0.35) | — | |
| SCHEMBL896480 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL8456421 | 0.79 | IDO1 (0.50) | — | |
| SCHEMBL28910550 | 0.77 | CYP3A4 (0.32) | — | |
| SCHEMBL3157370 | 0.77 | LTA4H (0.39) | — | |
| SCHEMBL2521337 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL437987 | 0.77 | CA2 (0.32) | — | |
| SCHEMBL896481 | 0.77 | AGXT (0.52) | — | |
| SCHEMBL17592785 | 0.77 | IDO1 (0.52) | — | |
| SCHEMBL410857 | 0.77 | IDO1 (0.52) | — |
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-9636413-B2 | Conjugates for treating diseases caused by PSMA expressing cells | ENDOCYTE, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| US-20150297735-A1 | CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS | ENDOCYTE, INC. | 2015-10-22 | — | — | US | disclosed |