⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20051990 | 0.76 | ADRB2 (0.32) | — | |
| SCHEMBL17303005 | 0.75 | — | — | |
| SCHEMBL17302966 | 0.73 | — | — | |
| SCHEMBL29122196 | 0.73 | — | — | |
| SCHEMBL29167814 | 0.72 | — | — | |
| SCHEMBL14293382 | 0.72 | — | — | |
| SCHEMBL16790668 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29121655 | 0.71 | KISS1R (0.32) | — | |
| SCHEMBL27951802 | 0.71 | — | — | |
| SCHEMBL29201844 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150284713-A1 | RECOGNITION TAGS FOR TGASE-MEDIATED CONJUGATION | ARARIS BIOTECH LTD (CH) | 2015-10-08 | — | — | US | disclosed |