SCHEMBL4093831

SCHEMBL4093831

C[C@@H](O)c1nccs1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19267359 1.00
SCHEMBL507980 1.00
Bromide SCHEMBL6767363 0.98
Thiophene SCHEMBL27438693 0.90 ALDH1A1 (0.34)
SCHEMBL2033997 0.82 ADAM17 (0.39)
SCHEMBL2039865 0.82 ALDH1A1 (0.38)
SCHEMBL16406105 0.82 ADAM17 (0.39)
Methyl Alcohol SCHEMBL27817336 0.81 ALDH1A1 (0.40)
SCHEMBL557653 0.80
SCHEMBL4768669 0.80 ALDH1A1 (0.42)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-10-28 US disclosed
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
CN-119776301-A Alcohol dehydrogenase, recombinant genetically engineered bacterium and application thereof in asymmetric reduction of potential chiral carbonyl compounds 杭州文德阶生物科技有限公司 2025-04-08 CN disclosed
EP-4182301-B1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 US disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed