⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3047023 | 0.68 | — | — | |
| SCHEMBL8971849 | 0.66 | — | — | |
| SCHEMBL313389 | 0.65 | — | — | |
| SCHEMBL10691409 | 0.65 | — | — | |
| SCHEMBL2668138 | 0.62 | — | — | |
| SCHEMBL14591129 | 0.62 | — | — | |
| SCHEMBL13679592 | 0.60 | — | — | |
| SCHEMBL3294701 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL27521876 | 0.59 | CXCR3 (0.30) | — | |
| SCHEMBL14591141 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011100227-A1 | BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2007103694-A2 | TRIAZINE 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-13 | — | — | WO | disclosed |