⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2776894 | 0.80 | — | — | |
| SCHEMBL27884500 | 0.79 | GAA (0.43) | — | |
| SCHEMBL2087588 | 0.78 | TDP1 (0.52) | — | |
| SCHEMBL499171 | 0.74 | — | — | |
| SCHEMBL536155 | 0.74 | — | — | |
| SCHEMBL4864289 | 0.74 | — | — | |
| SCHEMBL27614821 | 0.73 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL27700987 | 0.72 | — | — | |
| SCHEMBL27690932 | 0.72 | KDM5B (0.36) | — | |
| SCHEMBL7784530 | 0.71 | ALDH1A1 (0.47) | — |
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-5731320-A | TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY | ABBOTT LABORATORIES (US) | 1998-03-24 | — | — | US | disclosed |
| US-5672605-A | ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION | ABBOTT LABORATORIES (US) | 1997-09-30 | — | — | 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-5583139-A | Marcolide immunomodulators | ABBOTT LABORATORIES (US) | 1996-12-10 | — | — | US | disclosed |
| US-5563172-A | MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS | ABBOTT LABORATORIES (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0729471-A1 | SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS | Abbott Laboratories (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5527907-A | IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1996-06-18 | — | — | US | disclosed |
| WO-1995014023-A1 | SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-05-26 | — | — | WO | disclosed |