⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19901090 | 1.00 | — | — | |
| SCHEMBL22001679 | 0.83 | — | — | |
| SCHEMBL9327088 | 0.76 | — | — | |
| SCHEMBL13337861 | 0.76 | — | — | |
| SCHEMBL1969872 | 0.75 | CYP1A2 (0.43) | — | |
| SCHEMBL19225221 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL10899736 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL10899740 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL11312962 | 0.73 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL30147641 | 0.73 | CYP1A2 (0.42) | — |
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-9719986-B2 | Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use | VENTANA MEDICAL SYSTEMS, INC. (US) | 2017-08-01 | — | — | US | disclosed |
| US-20140323336-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | VENTANA MEDICAL SYSTEMS, INC. (US) | 2014-10-30 | — | — | US | disclosed |