⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28800260 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL62393 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL987341 | 0.84 | SIGMAR1 (0.30) | — | |
| SCHEMBL6261605 | 0.82 | POLB (0.32) | — | |
| SCHEMBL28122578 | 0.81 | FDPS (0.34) | — | |
| SCHEMBL5047965 | 0.79 | FDPS (0.38) | — | |
| SCHEMBL2705024 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL6873304 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL483206 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL11771179 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3402485-A1 | INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS | Merrimack Pharmaceuticals, Inc. (US) | 2018-11-21 | — | — | EP | disclosed |
| WO-2017123616-A1 | INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS | MERRIMACK PHARMACEUTICALS, INC. (US) | 2017-07-20 | — | — | WO | disclosed |
| US-20040022790-A1 | CNS neurite outgrowth modulators, and compositions, cells and methods embodying and using same | SCHACHNER, MELITTA (DE) | 2004-02-05 | — | — | US | disclosed |
| US-6576607-B1 | Administering neural cell adhesion molecule which overcomes inhibitory molecular cues found on glial cells and myelin | ACORDA THERAPEUTICS | 2003-06-10 | — | — | US | disclosed |
| US-5792743-A | TREATMENT OF CENTRAL NERVOUS SYSTEM OR BRAIN DISORDERS WITH GROWTH STIMULANT, E.G. L1 WHICH COMPRISES IMMUNOGLOBULIN-LIKE DOMAINS AND FIBRONECTIN TYPE III HOMOLOGOUS REPEATS; MEMORY ENHANCEMENT, ALZHEIMER'S DISEASE | ACORDA THERAPEUTICS (US) | 1998-08-11 | — | — | US | disclosed |