⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9685526 | 0.92 | TP53 (0.40) | — | |
| SCHEMBL9530571 | 0.90 | TP53 (0.39) | — | |
| SCHEMBL11292820 | 0.90 | TP53 (0.39) | — | |
| SCHEMBL8674267 | 0.90 | TP53 (0.39) | — | |
| SCHEMBL10597981 | 0.90 | TP53 (0.39) | — | |
| SCHEMBL5851893 | 0.84 | CYP3A4 (0.33) | — | |
| SCHEMBL93503 | 0.83 | — | — | |
| SCHEMBL10316593 | 0.83 | TP53 (0.50) | — | |
| SCHEMBL3691036 | 0.78 | CYP3A4 (0.55) | — | |
| SCHEMBL30946964 | 0.76 | TP53 (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0135762-B1 | STEROIDS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-10-12 | — | — | EP | disclosed |
| US-4680290-A | Steroids for the treatment of hypercholesterolemia | HOFFMANN-LA ROCHE INC. (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0107120-B1 | SUBSTITUTED AMINOALCANOL PHOSPHOLIPIDS AND PROCESS FOR THEIR PREPARATION | A. Nattermann & Cie. GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| EP-0121088-B1 | NEW O-ACYL-ALKANEDIOL-PHOSPHOLIPIDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | A. Nattermann & Cie. GmbH (DE) | 1986-10-01 | — | — | EP | disclosed |
| US-4610979-A | O-acyl-alkanediol-phospholipids and processes for the treatment of asthma | A. NATTERMANN & CIE GMBH (DE) | 1986-09-09 | — | — | US | disclosed |
| US-4565659-A | Substituted aminoalkanol phospholipids | A. NATTERMANN & CIE GMBH (DE) | 1986-01-21 | — | — | US | disclosed |
| EP-0135762-A2 | Steroids | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-04-03 | — | — | EP | disclosed |
| EP-0121088-A1 | New o-acyl-alkanediol-phospholipids, processes for their preparation and pharmaceutical preparations containing them | A. Nattermann & Cie. GmbH (DE) | 1984-10-10 | — | — | EP | disclosed |
| EP-0107120-A1 | Substituted aminoalcanol phospholipids and process for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-05-02 | — | — | EP | disclosed |