⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30103441 | 0.87 | CA2 (0.35) | — | |
| SCHEMBL2097809 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL18030857 | 0.80 | — | — | |
| SCHEMBL1965411 | 0.80 | — | — | |
| SCHEMBL2233732 | 0.78 | — | — | |
| SCHEMBL5679725 | 0.78 | CA1 (0.41) | — | |
| SCHEMBL13225466 | 0.78 | — | — | |
| SCHEMBL11535088 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11605392 | 0.78 | — | — | |
| SCHEMBL27777043 | 0.78 | CHRNB2 (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230086703-A1 | N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases | STEP PHARMA S.A.S. (FR) | 2023-03-23 | — | — | US | disclosed |
| CN-110172051-A | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-107082770-B | IRE-1 alpha inhibitor | 复星弘创(苏州)医药科技有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-107082770-A | The alpha inhibitors of IRE 1 | 上海复星医药产业发展有限公司 | 2017-08-22 | — | — | CN | disclosed |
| CN-102123763-B | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT, INC. (US) | 2014-10-08 | — | — | CN | disclosed |
| US-8093237-B2 | 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction | ARYX THERAPEUTICS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| CN-102123763-A | Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use thereof | XENOPORT INC | 2011-07-13 | — | — | CN | disclosed |
| US-20080255088-A1 | DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS | PROTOCELL THERAPEUTICS INC. | 2008-10-16 | — | — | US | disclosed |
| CN-1348442-A | Novel sulfonamide compounds and uses thereof | MERCK & CO INC (US) | 2002-05-08 | — | — | CN | disclosed |