⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16941989 | 0.86 | — | — | |
| SCHEMBL477997 | 0.86 | — | — | |
| SCHEMBL11776135 | 0.85 | FFAR3 (0.33) | — | |
| SCHEMBL6856374 | 0.79 | NPSR1 (0.39) | — | |
| SCHEMBL204562 | 0.78 | — | — | |
| SCHEMBL1361743 | 0.77 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL9143630 | 0.77 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20271904 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2417878 | 0.76 | — | — | |
| SCHEMBL13698864 | 0.75 | TSHR (0.32) | — |
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-20150209445-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. | 2015-07-30 | — | — | US | disclosed |
| US-20150209445-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. | 2015-07-30 | — | — | US | disclosed |
| WO-2015110935-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. (US) | 2015-07-30 | — | — | WO | disclosed |