⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21834709 | 0.78 | FDFT1 (0.35) | — | |
| SCHEMBL1842272 | 0.78 | FDFT1 (0.35) | — | |
| SCHEMBL1919710 | 0.77 | NAPRT (0.37) | — | |
| SCHEMBL2930045 | 0.77 | HDAC1 (0.34) | — | |
| SCHEMBL28840466 | 0.77 | — | — | |
| SCHEMBL17203259 | 0.77 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL27454681 | 0.76 | NAPRT (0.36) | — | |
| SCHEMBL1849108 | 0.75 | MAPT (0.40) | — | |
| SCHEMBL23539228 | 0.73 | NNMT (0.41) | — | |
| SCHEMBL27992399 | 0.73 | AR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036221-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015048507-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |