SCHEMBL12431

SCHEMBL12431

CCc1cnccn1

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
SCHEMBL29409987 1.00
Ammonia Solution, Strong SCHEMBL3420997 0.97
Trimethylammonium SCHEMBL27628866 0.93 POLB (0.41)
SCHEMBL28249390 0.93 HDAC3 (0.38)
SCHEMBL9502108 0.89 HSP90AA1 (0.33)
SCHEMBL9441234 0.87 KDM4E (0.35)
Furan SCHEMBL28581474 0.85 CYP1A2 (0.34)
SCHEMBL9441314 0.85 NLRP3 (0.33)
Propionic Acid SCHEMBL28704595 0.85 KDM4E (0.44)
SCHEMBL28249551 0.85 CYP3A4 (0.37)

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 2957 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2026-04-30 US claimed
US-20260096585-A1 ORAL COMPOSITION KAO CORPORATION (JP) 2026-04-09 US claimed
US-20260096574-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-04-09 US claimed
US-20260007144-A1 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2026-01-08 US claimed
US-20250331538-A1 MALLEABLE CONSUMABLE PRODUCT FOR ANIMALS AND METHODS OF MANUFACTURE THEREOF BIG HEART PET, INC. (US) 2025-10-30 US claimed
EP-4630411-A1 FORMULATION FOR AROMATIZING A FOOD PRODUCT Döhler GmbH (DE) 2025-10-15 EP claimed
US-12408625-B2 Food bowl kit MARS, INCORPORATED (US) 2025-09-09 US claimed
EP-4168594-B1 MASKING THE ODOR OF BEET SUGAR SUEDZUCKER AG (DE) 2025-08-27 EP claimed
EP-4606226-A2 CHOCOLATE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2025-08-27 EP claimed
EP-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0657499-B1 Vulcanizable epichlorohydrin polymer composition DAISO CO LTD (JP) 1998-07-08 EP claimed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0413368-B1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies THURN & TAXIS BRAUEREI (DE) 1994-08-17 EP claimed
EP-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP claimed
US-4605677-A RUTHENIUM COMPOUND, COBALT COMPOUND, QUATERNARY PHOSPHONIUM COMPOUND AND N-HETEROCYCLE CATALYST SYSTEM TEXACO INC. (US) 1986-08-12 US claimed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US claimed
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US claimed