⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5032764 | 0.66 | PREP (0.36) | — | |
| SCHEMBL2500684 | 0.61 | ESR1 (0.46) | — | |
| Hydroquinone SCHEMBL4804304 | 0.59 | ESR1 (0.44) | — | |
| SCHEMBL25317072 | 0.59 | APLNR (0.33) | — | |
| SCHEMBL7196103 | 0.57 | APLNR (0.31) | — | |
| SCHEMBL9185287 | 0.56 | ADRA2B (0.38) | — | |
| SCHEMBL30069473 | 0.55 | CYP2D6 (0.30) | — | |
| SCHEMBL28418753 | 0.55 | POLB (0.35) | — | |
| SCHEMBL173365 | 0.55 | PREP (0.49) | — | |
| SCHEMBL9602856 | 0.55 | CYP3A4 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1628974-A4 | HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) | BRISTOL MYERS SQUIBB CO (US) | 2008-05-07 | — | — | EP | disclosed |
| US-7132432-B2 | Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-07 | — | — | US | disclosed |
| EP-1628974-A2 | HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004108086-A2 | HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040254231-A1 | Hydantoin derivatives as inhibitors of tumor necrosis factor-alpha converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-16 | — | — | US | disclosed |