⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668604 | 0.75 | — | — | |
| SCHEMBL479385 | 0.71 | — | — | |
| SCHEMBL28291355 | 0.68 | — | — | |
| Potassium SCHEMBL31370905 | 0.68 | — | — | |
| SCHEMBL3748077 | 0.68 | — | — | |
| SCHEMBL8341750 | 0.65 | — | — | |
| SCHEMBL13481756 | 0.65 | LMNA (0.39) | — | |
| SCHEMBL2367089 | 0.65 | — | — | |
| SCHEMBL7752121 | 0.65 | LMNA (0.39) | — | |
| SCHEMBL7360426 | 0.65 | LMNA (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414465-A | Charged linkers and their use in conjugation reactions | 杭州多禧生物科技有限公司 | 2017-02-15 | — | — | CN | disclosed |
| US-5990328-A | FORMING 4-NITRO-3-KETOSTEROIDS WHICH BY NITRATION OF THE CORRESPONDING 3,5-DIENOLATE, REDUCTION OF 4-NITRO-3-KETOSTEROID FORMS 4-AMINO-3-KETOSTEROID | MERRELL PHARMACEUTICALS INC. (US) | 1999-11-23 | — | — | US | disclosed |
| US-5965550-A | INHIBITING STEROID C17-20 LYASE BY ADMINISTERING A 4-NITRO STEROID INHIBITORY COMPOUND OF GIVEN FORMULA, SUCH AS 17B-CYCLOPROPYLOXY-4-NITROANDROST-4-EN-3-ONE; INHIBITS FORMATION OF BOTH ANDROGENIC AND ESTROGENIC STEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1999-10-12 | — | — | US | disclosed |
| US-5869475-A | Certain 3-ketosteroids used to inhibit steroid 5α-reductase | MERRELL PHARMACEUTICALS, INC. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0758340-B1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMA INC (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5750744-A | ENZYME INHIBITORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-12 | — | — | US | disclosed |
| EP-0758340-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995029932-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-Δ4-3-KETOSTEROIDS VIA 4-NITRO-Δ4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1995-11-09 | — | — | WO | disclosed |