⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10188209 | 0.81 | — | — | |
| SCHEMBL13422 | 0.72 | — | — | |
| SCHEMBL6125031 | 0.70 | — | — | |
| Methane SCHEMBL28109159 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4261800 | 0.69 | HIF1A (0.33) | — | |
| Piperazine SCHEMBL7529697 | 0.69 | HIF1A (0.43) | — | |
| Water SCHEMBL28235026 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1002624 | 0.69 | — | — | |
| SCHEMBL6738669 | 0.67 | — | — | |
| SCHEMBL20523142 | 0.67 | HIF1A (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160318929-A1 | PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE | CEPHALON, INC. | 2016-11-03 | — | — | US | disclosed |
| US-9458104-B2 | Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ | PHENEX PHARMACEUTICALS AG (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20160207928-A1 | NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-07-21 | — | — | US | disclosed |
| US-20150344423-A1 | CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA | PHENEX PHARMACEUTICALS AG (DE) | 2015-12-03 | — | — | US | disclosed |
| US-20150175562-A1 | CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] | PHENEX PHARMACEUTICALS AG (DE) | 2015-06-25 | — | — | US | disclosed |
| US-20140349987-A1 | PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2014-11-27 | — | — | US | disclosed |
| US-20110184188-A1 | Insecticidal Benzenedicarboxamide Derivative | BAYER CROPSCIENCE AG (DE) | 2011-07-28 | — | — | US | disclosed |
| WO-2010096371-A2 | HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-26 | — | — | WO | disclosed |