⚠ 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 SCHEMBL28151937 | 0.97 | — | — | |
| SCHEMBL19165680 | 0.80 | — | — | |
| SCHEMBL11195958 | 0.80 | — | — | |
| SCHEMBL7305893 | 0.76 | — | — | |
| SCHEMBL2552749 | 0.76 | — | — | |
| SCHEMBL19165317 | 0.76 | — | — | |
| SCHEMBL6545536 | 0.76 | — | — | |
| SCHEMBL9767473 | 0.74 | TSHR (0.61) | — | |
| SCHEMBL9767481 | 0.74 | TSHR (0.61) | — | |
| SCHEMBL5282191 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11186583-B2 | 5-alkylthio-7-[(4-arylbenzyl)amino]-1(2)H-pyrazolo[4,3-d]pyrimidines for treatment of lymphoma | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2021-11-30 | — | — | US | disclosed |
| US-20200361943-A1 | 5-ALKYLTHIO-7-[(4-ARYLBENZYL)AMINO]-1(2)H-PYRAZOLO[4,3-D]PYRIMIDINES FOR TREATMENT OF LYMPHOMA | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2020-11-19 | — | — | US | disclosed |
| US-8206914-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-06-26 | — | — | US | disclosed |
| US-20110190141-A1 | Evolving New Molecular Function | PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) | 2011-08-04 | — | — | US | disclosed |
| US-7771935-B2 | Evolving new molecular function | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-08-10 | — | — | US | disclosed |