⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14851224 | 0.78 | MMP2 (0.39) | — | |
| SCHEMBL8571182 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27723444 | 0.71 | MMP2 (0.39) | — | |
| SCHEMBL9792374 | 0.69 | — | — | |
| SCHEMBL27766663 | 0.68 | KDM4E (0.61) | — | |
| SCHEMBL440980 | 0.68 | — | — | |
| SCHEMBL35435 | 0.68 | — | — | |
| Phosphoric Acid SCHEMBL28526369 | 0.67 | MMP2 (0.39) | — | |
| Medronic Acid SCHEMBL5692779 | 0.67 | MMP2 (0.71) | — | |
| Phosphoric Acid SCHEMBL29244062 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080311037-A1 | Compounds which bind PSMA and uses thereof | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| US-6518242-B1 | Derivatives of glycopeptide antibacterial agents | THERAVANCE, INC. | 2003-02-11 | — | — | US | disclosed |
| US-6518242-B1 | Derivatives of glycopeptide antibacterial agents | THERAVANCE, INC. | 2003-02-11 | — | — | US | disclosed |