⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11971993 | 1.00 | — | — | |
| SCHEMBL891337 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL16568696 | 0.95 | — | — | |
| Formaldehyde SCHEMBL27818408 | 0.93 | — | — | |
| Acetaldehyde SCHEMBL11445720 | 0.89 | — | — | |
| SCHEMBL27946314 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL11650269 | 0.76 | — | — | |
| SCHEMBL11433423 | 0.75 | — | — | |
| SCHEMBL3643635 | 0.74 | — | — | |
| 3-Octanone SCHEMBL28192905 | 0.74 | KMT2A (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140343145-A1 | RBP1 as a Molecular Biomarker for Predicting Survival and Response to Treatment in Glioma | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-11-20 | — | — | US | disclosed |
| US-7402696-B2 | Benzene compounds | AJINOMOTO CO., INC. (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20070105899-A1 | Benzene compounds | AJINOMOTO CO., INC. (JP) | 2007-05-10 | — | — | US | disclosed |
| US-5731320-A | TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY | ABBOTT LABORATORIES (US) | 1998-03-24 | — | — | US | disclosed |
| US-5708002-A | ASCOMYCIN ANALOGS, IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1998-01-13 | — | — | US | disclosed |
| US-5643918-A | MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES | ABBOTT LABORATORIES (US) | 1997-07-01 | — | — | US | disclosed |
| US-5563172-A | MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS | ABBOTT LABORATORIES (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0689545-A4 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LAB (US) | 1996-04-24 | — | — | EP | disclosed |
| EP-0689545-A1 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1996-01-03 | — | — | EP | disclosed |
| US-5457111-A | Side effect reduction | ABBOTT LABORATORIES (US) | 1995-10-10 | — | — | US | disclosed |
| WO-1994021642-A1 | MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |