⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21411503 | 0.77 | — | — | |
| SCHEMBL3214356 | 0.77 | — | — | |
| SCHEMBL28430474 | 0.77 | — | — | |
| SCHEMBL614455 | 0.77 | — | — | |
| SCHEMBL7379533 | 0.77 | — | — | |
| SCHEMBL24882659 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL10414692 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL15116664 | 0.75 | — | — | |
| SCHEMBL13917479 | 0.75 | CES2 (0.39) | — | |
| SCHEMBL7371095 | 0.75 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-0842160-B1 | FLUORINATED ALKENYLTRIAZINES AND THEIR USE AS CROSSLINKING AGENTS | DU PONT (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0842160-A1 | FLUORINATED ALKENYLTRIAZINES AND THEIR USE AS CROSSLINKING AGENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997005122-A1 | FLUORINATED ALKENYLTRIAZINES AND THEIR USE AS CROSSLINKING AGENTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-02-13 | — | — | WO | disclosed |
| EP-0451836-B1 | Difluoroglutamic acid conjugates with folates and anti-folates for the treatment of neoplastic diseases | HEALTH RESEARCH INC (US) | 1995-12-27 | — | — | EP | disclosed |
| EP-0451835-B1 | Intermediates for difluoroglutamic acid conjugates with folates and anti-folates for the treatment of neoplastic diseases | MERRELL DOW PHARMA (US) | 1995-09-13 | — | — | EP | disclosed |
| US-5286726-A | Difluoroglutamic acid conjugates with folates and anti-folates for the treatment of neoplastic diseases | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 1994-02-15 | — | — | US | disclosed |
| US-5066828-A | DIFLUOROGLUTAMIC ACID CONJUGATES WITH FOLATES AND ANTI-FOLATES FOR THE TREATMENT OF NEOPLASTIC DISEASES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-19 | — | — | US | disclosed |
| EP-0451835-A1 | Intermediates for difluoroglutamic acid conjugates with folates and anti-folates for the treatment of neoplastic diseases | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| EP-0451836-A2 | Difluoroglutamic acid conjugates with folates and anti-folates for the treatment of neoplastic diseases | HEALTH RESEARCH INCORPORATED (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4892962-A | FROM ALLYL DIFLUOROACETATES AND A MONOCHLORO=SILANE, ADDITION POLYMERS | CIBA-GEIGY CORPORATION (US) | 1990-01-09 | — | — | US | disclosed |
| EP-0273008-A2 | Process for the preparation of 2,2-difluoropent-4-ene-carboxylic acids and derivatives | CIBA-GEIGY AG (CH) | 1988-06-29 | — | — | EP | disclosed |