⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL600700 | 0.97 | — | — | |
| SCHEMBL1861290 | 0.90 | — | — | |
| SCHEMBL56354 | 0.87 | — | — | |
| SCHEMBL601746 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL13190832 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL6948588 | 0.84 | — | — | |
| SCHEMBL8923002 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL6947994 | 0.84 | — | — | |
| SCHEMBL9817087 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL9817124 | 0.79 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5614557-A | ADMINISTERING (DIFLUOROMETHYL)ORNITHINE OR SALT WITH METHYLGLYOXAL BIS(GUANYLHYDRAZONE) | MARION MERRELL ET COMPAGNIE C/O MERRELL PHARMACEUTICALS INC. (US) | 1997-03-25 | — | — | US | disclosed |
| US-4866206-A | INHIBITORS OF ORNITHINE DECARBOXYLASE | MERRELL DOW FRANCE ET CIE (FR) | 1989-09-12 | — | — | US | disclosed |
| US-4743691-A | INHIBITORS OF ORNITHINE DECARBOXYLASE | MERRELL DOW FRANCE ET CIE (FR) | 1988-05-10 | — | — | US | disclosed |
| EP-0046710-B1 | PREPARATION OF AMINOACETONITRILE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-13 | — | — | EP | disclosed |
| US-4405530-A | Process for preparing fluorinated amino-nitriles | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-09-20 | — | — | US | disclosed |
| US-4330559-A | 2,5-DIAMINO-2-FLUOROMETHYLPENTANOIC ACIDS OR DERIVATIVES | MERRELL-TORAUDE ET CIE (FR) | 1982-05-18 | — | — | US | disclosed |
| EP-0046710-A1 | Preparation of aminoacetonitrile derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |
| US-4309442-A | 2,5-DIAMINO-2-FLUOROMETHYLPENTANOIC ACID OR DERIVATIVE THEREOF | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-01-05 | — | — | US | disclosed |