SCHEMBL112305

SCHEMBL112305

C=C(C)C(=O)NCCNC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KISS1R Q969F8 1/20 0.31
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Hydrochloric Acid SCHEMBL22341966 0.98 TGFBR1 (0.35) TGFBR1ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL17308698 0.94 TGFBR1 (0.33) TGFBR1ALDH1A1KDM4E
Sulfuric Acid SCHEMBL6211665 0.92 TGFBR1 (0.36) TGFBR1KDM4EMAPK1HIF1ATDP1
SCHEMBL316224 0.90 TGFBR1 (0.41) TGFBR1ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL11866190 0.88 TGFBR1 (0.38) TGFBR1ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL109677 0.86 KDM4E (0.44) TGFBR1KDM4EMAPK1HIF1AKISS1R
SCHEMBL110483 0.86 KDM4E (0.39) TGFBR1KDM4EMAPK1HIF1ACYP2C19
SCHEMBL4330261 0.85 KDM4E (0.48) ALDH1A1KDM4EMAPK1HIF1A
SCHEMBL4324661 0.85 KDM4E (0.48) ALDH1A1KDM4EMAPK1HIF1A
Hydrochloric Acid SCHEMBL28093970 0.85 KDM4E (0.38) TGFBR1KDM4EMAPK1HIF1ACYP2C19

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 285 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076916-B1 WETTABLE SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2024-06-12 EP claimed
EP-4146461-B1 METHOD FOR PRODUCING SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2024-03-13 EP claimed
EP-4118134-B1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC (CH) 2024-02-28 EP claimed
EP-3802080-B1 METHOD FOR MAKING SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2023-07-19 EP claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
EP-1395638-B1 COAGULATING AGENT AND SOLUTION FOR THE PRODUCTION OF BI-COMPONENT OR MULTI-COMPONENT GLUES, GLUEING METHOD AND CORRESPONDING DEVICE COLLANO SA SA (FR) 2007-08-22 EP claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20060181587-A1 Ink set and media for ink-jet printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2006-08-17 US claimed
US-20040142192-A1 Coagulating agent and solution for the production of bi-component or multi-component glues, glueing method and corresponding device COLLANO SA (FR) 2004-07-22 US claimed
EP-1395638-A1 COAGULATING AGENT AND SOLUTION FOR THE PRODUCTION OF BI-COMPONENT OR MULTI-COMPONENT GLUES, GLUEING METHOD AND CORRESPONDING DEVICE Collano SA (Société Anonyme) (FR) 2004-03-10 EP claimed
WO-2002086006-A1 COAGULATING AGENT AND SOLUTION FOR THE PRODUCTION OF BI-COMPONENT OR MULTI-COMPONENT GLUES, GLUEING METHOD AND CORRESPONDING DEVICE COLLANO SA (SOCIETE ANONYME) (FR) 2002-10-31 WO claimed
EP-3870656-B1 ACRYLIC POLYMERS FOR INKJET INK APPLICATIONS CABOT CORP (US) 2026-03-18 EP disclosed
US-12338364-B2 Method for applying a coating composition to a substrate ROHM AND HAAS COMPANY (US) 2025-06-24 US disclosed
EP-4562091-A1 EMULSION POLYMERS AND METHODS FOR IMPROVING PUMPABILITY ChampionX LLC (US) 2025-06-04 EP disclosed
US-20250109301-A1 METHOD FOR APPLYING A COATING COMPOSITION TO A SUBSTRATE DOW GLOBAL TECHNOLOGIES LLC 2025-04-03 US disclosed
WO-1983002115-A1 CATIONIC ACRYLAMIDE AND RUBBER MODIFIED ASPHALTS OWENS CORNING FIBERGLASS CORP (US) 1983-06-23 WO disclosed
EP-0082056-A1 Cationic acrylamide and rubber modified asphalts OWENS-CORNING FIBERGLAS CORPORATION (US) 1983-06-22 EP disclosed
US-4383081-A Cationic acrylamide chemically modified asphalts OWENS-CORNING FIBERGLAS CORPORATION (US) 1983-05-10 US disclosed
US-4174152-A Electrochromic devices with polymeric electrolytes AMERICAN CYANAMID COMPANY (US) 1979-11-13 US disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed