SCHEMBL557653

SCHEMBL557653

CC(C)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
Methyl Alcohol SCHEMBL27817336 0.95 ALDH1A1 (0.40)
Methylamine SCHEMBL28742976 0.95 ALDH1A1 (0.44)
SCHEMBL27783363 0.81 ALDH1A1 (0.55)
SCHEMBL14044823 0.80
SCHEMBL4093831 0.80
SCHEMBL267683 0.80
SCHEMBL12862790 0.80 ALDH1A1 (0.39)
SCHEMBL22768499 0.80 ALDH1A1 (0.39)
SCHEMBL21037832 0.80 ALDH1A1 (0.39)
SCHEMBL4489846 0.80

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

Appears in 2520 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117666282-A Non-film-forming matrix, photopolymer, film, preparation method and printing stock 深圳幻臻技术有限公司 2024-03-08 CN claimed
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-12-07 US claimed
EP-4247797-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
US-20230286927-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US claimed
CN-116438176-A 2-phenylbenzotriazol-5-amine derivatives for the treatment and prevention of Hepatitis B Virus (HBV) infection 豪夫迈·罗氏有限公司 2023-07-14 CN claimed
WO-2022106588-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
US-20210085658-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. 2021-03-25 US claimed
US-10456385-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-10-29 US claimed
US-20180263965-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2018-09-20 US claimed
US-9987259-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-06-05 US claimed
US-4156029-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-22 US claimed
US-4097615-A ORGANOLEPTIC, AROMA AND TASTE ENHANCING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-27 US claimed
US-4064279-A Alpha-substituted alkylidene methionals and uses thereof in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064280-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4064278-A FRUIT AND VEGETABLE FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-20 US claimed
US-4055691-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-25 US claimed
US-4053655-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4053654-A Uses of α-oxy(oxo) sulfides and ethers in foodstuffs and flavors for foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4044164-A BERRY, CEREAL, NUT, BROCCOLI, ONION, CITRUS, JASMIN, MILK CARAMEL, GRAPE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-23 US claimed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US claimed