⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27981655 | 0.97 | — | — | |
| SCHEMBL10355207 | 0.83 | — | — | |
| SCHEMBL10221 | 0.83 | — | — | |
| SCHEMBL16415285 | 0.82 | — | — | |
| SCHEMBL27976822 | 0.79 | — | — | |
| SCHEMBL28035879 | 0.79 | — | — | |
| SCHEMBL27548837 | 0.77 | DRD2 (0.33) | — | |
| SCHEMBL1101260 | 0.73 | DRD2 (0.33) | — | |
| SCHEMBL18454277 | 0.73 | KMT2A (0.30) | — | |
| SCHEMBL1923266 | 0.73 | KMT2A (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240548-A | A kind of preparation method of Cariliprazine intermediate | 上虞京新药业有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-102224130-B | Preparation method of trans-4-amino-cyclohexyl ethyl acetate HCl | RICHTER GEDEON NYRT | 2015-04-01 | — | — | CN | disclosed |
| US-20150031674-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-01-29 | — | — | US | disclosed |
| WO-2015011252-A1 | PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | WO | disclosed |
| CN-101795569-A | Cannabinoid receptor antagonists/inverse agonists for the treatment of obesity | JENRIN DISCOVERY | 2010-08-04 | — | — | CN | disclosed |
| US-6815183-B1 | Plasmodium sp. chitinase | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2004-11-09 | — | — | US | disclosed |
| WO-2000073488-A9 | PLASMODIUM SP. CHITINASE | UNIV TEXAS (US) | 2002-04-18 | — | — | WO | disclosed |