⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9397384 | 0.73 | — | — | |
| SCHEMBL9198661 | 0.70 | ADORA2A (0.47) | — | |
| SCHEMBL17371772 | 0.67 | — | — | |
| SCHEMBL19522164 | 0.63 | ADORA2A (0.50) | — | |
| SCHEMBL5513295 | 0.63 | ADORA2A (0.35) | — | |
| 3-Propyladenine SCHEMBL15756434 | 0.61 | ADORA2A (0.53) | — | |
| 3-Benzyladenine SCHEMBL5352368 | 0.58 | ADORA2A (0.56) | — | |
| SCHEMBL9199176 | 0.56 | PNP (0.40) | — | |
| SCHEMBL16367076 | 0.56 | PIK3CG (0.37) | — | |
| SCHEMBL2948983 | 0.55 | ADORA2A (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994001413-A1 | BORONATED COMPOUNDS | BORON BIOLOGICALS, INC. (US) | 1994-01-20 | — | — | WO | claimed |
| EP-0649411-A4 | BORONATED COMPOUNDS. | BORON BIOLOG INC (US) | 1995-07-12 | — | — | EP | disclosed |
| EP-0649411-A1 | BORONATED COMPOUNDS | BORON BIOLOGICALS, INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994001413-A1 | BORONATED COMPOUNDS | BORON BIOLOGICALS, INC. (US) | 1994-01-20 | — | — | WO | disclosed |