⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1771597 | 1.00 | — | — | |
| SCHEMBL12156442 | 1.00 | — | — | |
| SCHEMBL856067 | 1.00 | — | — | |
| SCHEMBL12326770 | 1.00 | — | — | |
| SCHEMBL15943287 | 1.00 | — | — | |
| SCHEMBL14551906 | 1.00 | — | — | |
| SCHEMBL1771596 | 1.00 | — | — | |
| SCHEMBL10564328 | 0.85 | TRIM24 (0.39) | — | |
| SCHEMBL7941523 | 0.80 | KMT2A (0.46) | — | |
| SCHEMBL4416309 | 0.80 | KMT2A (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3190121-A1 | METHODS FOR STEREOSELECTIVE REDUCTION OF CYCLOPAMINE 4-EN-3-ONE DERIVATIVE | Infinity Pharmaceuticals, Inc. (US) | 2017-07-12 | — | — | EP | disclosed |
| WO-2015035412-A1 | CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2015-03-12 | — | — | WO | disclosed |
| EP-1212303-A2 | BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016108-A2 | BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2001-03-08 | — | — | WO | disclosed |